Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4133662

Cc1cc(C)c(N2C=NCC2)c(C)c1.Cl

nearest known ligand 0.33

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 9)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 1/20 0.31
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CRHR1 P34998 1/20 0.31

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
SCHEMBL7945380 0.98 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL2895440 0.98 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
Bromide SCHEMBL30100053 0.96 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL30787938 0.87 ALDH1A1 (0.36) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL12502204 0.81 MYC (0.32)
SCHEMBL9382328 0.78 GAA (0.36) ALDH1A1POLBMAPTHTTKDM4E
SCHEMBL7729842 0.76 MAPT (0.34) ALDH1A1POLBMAPTNPSR1KDM4E
SCHEMBL28532318 0.74 ALDH1A1 (0.32) ALDH1A1POLB
Hydrochloric Acid SCHEMBL22685877 0.71 TYR (0.34) HTTNPSR1
SCHEMBL5740940 0.70 ALDH1A1 (0.39) ALDH1A1POLBMAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507292-A1 USE OF SILYLATED FORMIATES AS HYDROSILANE EQUIVALENTS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2019-07-10 EP claimed
CN-118119412-A Purified signal enhanced contrast agent for magnetic resonance imaging 马克斯·普朗克科学促进协会 2024-05-31 CN disclosed
CN-117794644-A Iron-catalyzed metathesis polymerization of olefins 耶达研究与发展有限公司 2024-03-29 CN disclosed
WO-2023167321-A1 MECHANOCHEMICAL REACTION ADDITIVE, MECHANOCHEMICAL METHOD, LIGAND COMPOUND, AND COMPLEX 国立大学法人北海道大学 2023-09-07 WO disclosed
US-11718584-B2 Process for the synthesis anthranilic diamide compounds and intermediates thereof PI INDUSTRIES LTD. (IN) 2023-08-08 US disclosed
CN-114728981-A Condensed polycyclic aromatic compound 日本化药株式会社 2022-07-08 CN disclosed
US-20220185782-A1 A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2022-06-16 US disclosed
CN-114269754-A Condensed polycyclic aromatic compound 日本化药株式会社 2022-04-01 CN disclosed
EP-3927685-A1 A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI Industries Ltd. (IN) 2021-12-29 EP disclosed
CN-113614063-A Method for synthesizing anthranilamide compound and intermediate thereof PI工业有限公司 2021-11-05 CN disclosed
EP-3374363-A1 METHOD FOR PREPARING METHOXYBORANES AND FOR PRODUCING METHANOL Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2018-09-19 EP disclosed
EP-3374364-A1 USE OF BORON FORMATES FOR REDUCING UNSATURATED ORGANIC FUNCTIONS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2018-09-19 EP disclosed
CN-106488920-A The preparation method of antiviral compound 吉利德制药有限责任公司 2017-03-08 CN disclosed
CN-103717587-B Manufacture the method for benzo [B] thiophene compound OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-02-10 CN disclosed
CN-102725269-B synthetic intermediate of oxazole compound and preparation method thereof OTSUKA PHARMA CO LTD 2015-03-25 CN disclosed
CN-103717587-A Method for producing benzo[B]thiophene compound OTSUKA PHARMA CO LTD 2014-04-09 CN disclosed
EP-2528896-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
EP-2049535-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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 (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-11718584-B2 Process for the synthesis anthranilic diamide compounds and intermediates thereof DAO, DDC, QDPR HRH3 627/4885ALDH1A1 914/4885POLB 1080/4885
US-20220185782-A1 A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF DAO, DDC, QDPR HRH3 659/4885ALDH1A1 1089/4885POLB 1262/4885

“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.