Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16286708

CNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 6/20 1.00
MAOA known ✓ P21397 1/20 0.44
MAOB known ✓ P27338 1/20 0.44
ESR1 known ✓ P03372 2/20 0.41
ESR2 known ✓ Q92731 2/20 0.41
PARP2 Q9UGN5 2/20 1.00
ERAP1 Q9NZ08 11/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29369538 1.00 PARP1 (1.00) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL30158037 0.99 PARP1 (1.00) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL16286825 0.99 PARP1 (1.00) PARP1PARP2ERAP1MAOAMAOB
Hydrochloric Acid SCHEMBL30582489 0.92 PARP1 (0.86) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL24171572 0.88 PARP1 (0.80) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL16287022 0.86 PARP1 (0.78) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL16286977 0.86 PARP1 (0.77) PARP1PARP2ERAP1MAOAMAOB
Hydrochloric Acid SCHEMBL16287622 0.85 PARP1 (0.73) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL16286815 0.84 PARP1 (0.74) PARP1PARP2ERAP1MAOAMAOB
SCHEMBL16287123 0.84 PARP1 (0.74) PARP1PARP2ERAP1ESR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643708-B1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2025-09-24 EP claimed
US-11174237-B2 2-[4-(meihylaminomethyl)phenyl]-5-fluoro- benzofuran-7-carboxamide hydrochloride polymorph, preparation method therefor and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-11-16 US claimed
US-20200172502-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-04 US claimed
EP-3643708-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 EP claimed
EP-3643708-B1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2025-09-24 EP disclosed
EP-3643708-C0 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2025-09-24 EP disclosed
EP-3643708-B1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2025-09-24 EP disclosed
CN-111320596-B Mefurazapire hydrochloride polymorph and preparation method thereof 甫康(上海)健康科技有限责任公司 2024-07-05 CN disclosed
CN-111320596-B Mefurazapire hydrochloride polymorph and preparation method thereof 甫康(上海)健康科技有限责任公司 2024-07-05 CN disclosed
CN-109134409-B Mefurazapirone hydrochloride polymorph and preparation method and application thereof 中国科学院上海药物研究所 2023-09-29 CN disclosed
CN-109134409-B Mefurazapirone hydrochloride polymorph and preparation method and application thereof 中国科学院上海药物研究所 2023-09-29 CN disclosed
JP-2022060192-A POLYMORPH OF MEFPARIB HYDROCHLORIDE AND METHODS OF PREPARING AND USING THE SAME 上海 インスティテュート オブ マテリア メディカ、チャイニーズ アカデミー オブ サイエンシーズ 2022-04-14 JP disclosed
US-20200172502-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-04 US disclosed
US-20200172502-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-04 US disclosed
EP-3643708-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 EP disclosed
EP-3643708-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 EP disclosed
WO-2018228205-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国科学院上海药物研究所 2018-12-20 WO disclosed
US-9533965-B2 2-arylbenzofuran-7-formamide compounds, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-03 US disclosed
EP-2813495-B1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2016-09-28 EP disclosed
EP-2813495-A1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-12-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172502-A1 2-[4-(METHYLAMINOMETHYL)PHENYL]-5-FLUORO-BENZOFURAN-7-CARBOXAMIDE HYDROCHLORIDE POLYMORPH, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CYP4F11, CYP3A7, CYP4F8 PARP1 1597/4885MAOA 741/4885MAOB 822/4885
US-11174237-B2 2-[4-(meihylaminomethyl)phenyl]-5-fluoro- benzofuran-7-carboxamide hydrochloride polymorph, preparation method therefor and application thereof CYP4F11, CYP4F8, CYP3A7 PARP1 2765/4885MAOA 272/4885MAOB 404/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.