Hydrochloric Acid

Hydrochloric Acid

SCHEMBL558064

COc1ccc(N)c(O)c1.Cl

nearest known ligand 0.70

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
GAA known ✓ P10253 1/20 0.70
ESR2 known ✓ Q92731 1/20 0.45
ALDH1A1 P00352 5/20 0.70
TDP1 Q9NUW8 3/20 0.70
MEN1 O00255 2/20 0.70
MAPT P10636 2/20 0.70
THRB P10828 2/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 1/20 0.70
RECQL P46063 1/20 0.70
BLM P54132 1/20 0.70
MCL1 Q07820 1/20 0.70
CYP3A4 P08684 5/20 0.61
NPC1 O15118 4/20 0.53
RAB9A P51151 2/20 0.52
MAPK1 P28482 3/20 0.50
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50

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
SCHEMBL780305 0.98 ALDH1A1 (0.67) ALDH1A1TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL3020904 0.83 ALDH1A1 (1.00) ALDH1A1TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL10770715 0.82 NR4A1 (0.58) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL29878426 0.82 CYP3A4 (0.65) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL245052 0.80 ALDH1A1 (0.96) ALDH1A1TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL215131 0.79 ALDH1A1 (0.68) ALDH1A1TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL202563 0.79 ALDH1A1 (0.68) ALDH1A1TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL29524042 0.79 ALDH1A1 (0.68) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL30040301 0.79 NR4A1 (0.61) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL436522 0.79 NR4A1 (0.61) ALDH1A1TDP1MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
US-10123978-B2 Patch for treating dermatophytosis MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-11-13 US disclosed
EP-2881114-B1 ANTI-TRICHOPHYTIC ADHESIVE PATCH MEIJI SEIKA PHARMA CO LTD (JP) 2018-09-05 EP disclosed
US-20180200199-A1 PATCH FOR TREATING DERMATOPHYTOSIS MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-07-19 US disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
EP-3190888-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-19 EP disclosed
US-9447054-B2 Anticancer supplement agent including benzo[D]oxazol derivative as effective ingredient KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2016-09-20 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
WO-2016033460-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO disclosed
WO-2005040129-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists ROCHE PALO ALTO LLC 2005-04-28 US disclosed
EP-0621271-B1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA (JP) 2001-10-17 EP disclosed
US-5631257-A ANTISEROTONIN AGENTS FOR TREATMENT OF NAUSEA AND ANTIEMETICS MEIJI SEIKA KAISHA, LTD. (JP) 1997-05-20 US disclosed
EP-0621271-A1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA LTD. (JP) 1994-10-26 EP disclosed
US-5273988-A 2-(3,4,4,-trifluorobutenylmercapto) alkoxy or nitro benzoxazoyl compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US disclosed
EP-0532722-A1 BENZOXAIOLE DERIVATIVES ZENECA LIMITED (GB) 1993-03-24 EP disclosed
WO-1992017463-A1 BENZOXAIOLE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-15 WO disclosed
EP-0507464-A1 Benzoxazole derivatives ZENECA LIMITED (GB) 1992-10-07 EP disclosed
US-3996210-A OPTICAL BRIGHTENERS SANDOZ LTD. (CH) 1976-12-07 US 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 (6 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-20180200199-A1 PATCH FOR TREATING DERMATOPHYTOSIS DPM1, KRT18, LCP1 GAA 4547/4885ESR2 3836/4885ALDH1A1 3414/4885
US-10123978-B2 Patch for treating dermatophytosis DPM1, KRT18, LCP1 GAA 4547/4885ESR2 3836/4885ALDH1A1 3414/4885
US-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 GAA 706/4885ESR2 3717/4885ALDH1A1 3949/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 GAA 446/4885ESR2 1228/4885ALDH1A1 1082/4885
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists CCR9, CCR3, CCR1 GAA 4865/4885ESR2 466/4885ALDH1A1 2336/4885
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 GAA 706/4885ESR2 3717/4885ALDH1A1 3949/4885

“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.