Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4971503

Cl.NCC(=O)c1ccco1

nearest known ligand 0.56

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
ESR2 known ✓ Q92731 2/20 0.47
GAA known ✓ P10253 2/20 0.47
ESR1 known ✓ P03372 1/20 0.47
AGTR1 known ✓ P30556 2/20 0.44
HSP90AA1 known ✓ P07900 1/20 0.44
ALDH1A1 P00352 9/20 0.56
POLB P06746 8/20 0.56
HSD17B10 Q99714 6/20 0.56
HPGD P15428 5/20 0.56
RECQL P46063 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ALOX15 P16050 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
MAPT P10636 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
PTPN1 P18031 1/20 0.50
MEN1 O00255 4/20 0.48

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
SCHEMBL6932749 0.98
SCHEMBL1651850 0.80 CES2 (0.70) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL6320074 0.80 ERCC5 (0.74) ALDH1A1POLBHSD17B10HPGDRECQL
Hydrochloric Acid SCHEMBL28153000 0.79 ALDH1A1 (0.56) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL6196587 0.78
SCHEMBL574955 0.78
SCHEMBL5369014 0.78
SCHEMBL7070914 0.78 ERCC5 (0.71) ALDH1A1POLBHSD17B10HPGDRECQL
SCHEMBL51450 0.78
SCHEMBL183688 0.78 ERCC5 (0.65) ALDH1A1POLBHSD17B10HPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-111606888-B Pyrrole derivative and preparation method and application thereof 中国药科大学 2023-08-18 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
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
CN-111606888-A Pyrrole derivative and preparation method and application thereof 中国药科大学 2020-09-01 CN 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-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2014012511-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2014-01-23 WO disclosed
EP-1756089-B1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-10-22 EP disclosed
EP-0399645-B1 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1994-11-09 EP disclosed
EP-0435840-A2 Process for the preparation of 2-(2-furyl) ethanol amine MONSANTO COMPANY (US) 1991-07-03 EP disclosed
EP-0399645-A2 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed
CN-1046332-A New compound BEECHAM GROUP PLC (GB) 1990-10-24 CN disclosed
US-4962212-A Process for the preparation of 2-(2-furyl)ethanol amine MONSANTO COMPANY (US) 1990-10-09 US disclosed
EP-0120270-B1 FURYLOXAZOLYLACETIC ACID DERIVATIVE, PROCESSES FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION Tanabe Seiyaku Co., Ltd. (JP) 1989-09-27 EP disclosed
US-4642313-A ANTILIPEMIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1987-02-10 US disclosed
EP-0087782-B1 FURYLOXAZOLYLACETIC ACID DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Tanabe Seiyaku Co., Ltd. (JP) 1986-05-21 EP disclosed
EP-0120270-A2 Furyloxazolylacetic acid derivative, processes for preparing same and pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1984-10-03 EP disclosed
EP-0087782-A1 Furyloxazolylacetic acid derivatives, process for preparing same and pharmaceutical compositions containing same Tanabe Seiyaku Co., Ltd. (JP) 1983-09-07 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO ESR2 790/4885GAA 4122/4885ESR1 1962/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO ESR2 790/4885GAA 4122/4885ESR1 1962/4885

“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.