Hydrochloric Acid

Hydrochloric Acid

SCHEMBL892556

Cl.NCC(=O)c1cccs1

nearest known ligand 0.67

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
HDAC1 known ✓ Q13547 2/20 0.50
ALDH1A1 P00352 4/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 2/20 0.67
POLB P06746 2/20 0.67
KMT2A Q03164 2/20 0.67
GSK3B P49841 1/20 0.62
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
DAO P14920 1/20 0.54
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL4765892 0.98
Hydrochloric Acid SCHEMBL28220428 0.86 ALDH1A1 (0.77) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL6423116 0.83 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL8521100 0.83 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL2216212 0.80 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL711360 0.80 RAB9A (0.75) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL18906079 0.79 KMT2A (0.71) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL23855456 0.78
SCHEMBL1547840 0.78 ERCC5 (0.65) ALDH1A1NPC1RAB9ALMNAMEN1
Methylamine SCHEMBL29014474 0.78 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108780-A1 NEW PHENYLOXOALKYL PIPERIDINES, METHODS FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Bouchara, Emile Dr. (FR) 1984-05-23 EP claimed
WO-1983004022-A1 NEW PHENYLOXOALKYL PIPERIDINES, METHODS FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOUCHARA, EMILE (FR) 1983-11-24 WO claimed
US-12319684-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2025-06-03 US disclosed
CN-115819366-B Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2024-05-24 CN disclosed
CN-115819366-A Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2023-03-21 CN disclosed
US-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-11-25 US disclosed
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-04-27 US disclosed
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
EP-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 EP disclosed
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-02-25 US disclosed
US-20020132809-A1 Heterocyclic carboxamide derivatives as inhibitors of nitric oxide production FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-09-19 US disclosed
EP-1075475-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-14 EP disclosed
WO-1999057114-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-11 WO disclosed
EP-0367233-A2 Process for the preparation of 2-(2-thienyl)-ethylamine and derivatives thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-05-09 EP disclosed
US-4908357-A Insecticides, acaricides FMC CORPORATION (US) 1990-03-13 US disclosed
US-4874876-A ACYLATING THIOPHENE, REDUCING, HYDROLYZING OCCIDENTAL CHEMICAL CORPORATION (US) 1989-10-17 US disclosed
EP-0065145-B1 NOVEL THIENYLOXAZOLYLACETIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME Tanabe Seiyaku Co., Ltd. (JP) 1984-10-03 EP disclosed
US-4460596-A Thienyloxazolylacetic acid derivatives and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-07-17 US disclosed
EP-0065145-A1 Novel thienyloxazolylacetic acid derivatives and process for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1982-11-24 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 (7 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO HDAC1 51/4885ALDH1A1 493/4885NPC1 1208/4885
US-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 HDAC1 1151/4885ALDH1A1 2095/4885NPC1 1465/4885
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 HDAC1 1151/4885ALDH1A1 2095/4885NPC1 1465/4885
US-12319684-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 HDAC1 1151/4885ALDH1A1 2095/4885NPC1 1465/4885
US-20020132809-A1 Heterocyclic carboxamide derivatives as inhibitors of nitric oxide production NOS1, NOS3, NOS2 HDAC1 1163/4885ALDH1A1 2145/4885NPC1 1265/4885
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 HDAC1 1151/4885ALDH1A1 2095/4885NPC1 1465/4885
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 HDAC1 1151/4885ALDH1A1 2095/4885NPC1 1465/4885

“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.