Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16049971

Cl.NCCc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
GLA known ✓ P06280 1/20 0.46
CCR5 known ✓ P51681 1/20 0.45
ESR1 known ✓ P03372 1/20 0.43
ESR2 known ✓ Q92731 1/20 0.43
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
APEX1 P27695 1/20 0.45
SERPINE1 P05121 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL9404994 0.98 KMT2A (0.53) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL28044188 0.90 KDM4E (0.62) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL29351887 0.88 TAAR1 (0.55) KMT2AMEN1CYP3A4TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9333481 0.85 KMT2A (0.52) KMT2AMEN1CYP3A4TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9404915 0.84 KMT2A (0.51) KMT2ATDP1L3MBTL1LMNAMAPT
SCHEMBL9404906 0.84 CCR5 (0.49) KMT2AMEN1CYP3A4LMNATAAR1
SCHEMBL9336408 0.83 KMT2A (0.53) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL2506153 0.83 KMT2A (0.57) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL9404871 0.82 KMT2A (0.52) KMT2ATDP1L3MBTL1LMNAMAPT
SCHEMBL9404802 0.81 KMT2A (0.58) KMT2AMEN1CYP3A4LMNATAAR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718766-B2 High penetration drugs and their compositions thereof for treatment of parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2017-08-01 US claimed
EP-2994453-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES Techfields Pharma Co., Ltd. (CN) 2016-03-16 EP claimed
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2016-01-07 US claimed
WO-2014139161-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES TECHFIELDS PHARMA CO., LTD. (CN) 2014-09-18 WO claimed
US-11685739-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2023-06-27 US disclosed
CN-112521305-B Novel high penetration drug for treating Parkinson disease and pharmaceutical composition thereof 苏州泰飞尔医药有限公司 2023-04-25 CN disclosed
US-20220064157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2022-03-03 US disclosed
US-11084813-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2021-08-10 US disclosed
CN-112521305-A Novel high-penetration medicine for treating Parkinson's disease and medicine composition thereof 苏州泰飞尔医药有限公司 2021-03-19 CN disclosed
CN-105143174-B Novel high-penetration medicine for treating Parkinson's disease and medicine composition thereof 苏州泰飞尔医药有限公司 2021-01-12 CN disclosed
US-20170334908-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2017-11-23 US disclosed
US-9718766-B2 High penetration drugs and their compositions thereof for treatment of parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2017-08-01 US disclosed
EP-2994453-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES Techfields Pharma Co., Ltd. (CN) 2016-03-16 EP disclosed
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2016-01-07 US disclosed
WO-2014139161-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES TECHFIELDS PHARMA CO., LTD. (CN) 2014-09-18 WO 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 (5 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-20170334908-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES ABCB1, PARK7, SLC5A7 GLA 2781/4885CCR5 338/4885ESR1 3998/4885
US-11084813-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases ABCB1, PARK7, ABCG2 GLA 2551/4885CCR5 374/4885ESR1 3468/4885
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES ABCB1, PARK7, SLC5A7 GLA 2781/4885CCR5 338/4885ESR1 3998/4885
US-11685739-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases ABCB1, PARK7, ABCG2 GLA 2551/4885CCR5 374/4885ESR1 3468/4885
US-20220064157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES ABCB1, PARK7, SLC5A7 GLA 2781/4885CCR5 338/4885ESR1 3998/4885

“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.