Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2533965

Cl.O=C(O)c1ccccc1C(F)(F)F

nearest known ligand 0.60

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 0.60
HDAC8 known ✓ Q9BY41 1/20 0.50
KCNK3 known ✓ O14649 1/20 0.49
KCNK9 known ✓ Q9NPC2 1/20 0.49
CA2 known ✓ P00918 1/20 0.46
LMNA P02545 1/20 0.60
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
TAS2R14 Q9NYV8 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
FABP4 P15090 1/20 0.53
MAPT P10636 1/20 0.50
GRIK1 P39086 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
CNR2 P34972 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL221518 0.98 LMNA (0.62) LMNAGAAALDH1A1ALOX15TAS2R14
SCHEMBL30449216 0.98 LMNA (0.62) LMNAGAAALDH1A1ALOX15TAS2R14
SCHEMBL29208535 0.96 LMNA (0.60) LMNAGAAALDH1A1ALOX15TAS2R14
SCHEMBL27815762 0.96 LMNA (0.60) LMNAGAAALDH1A1ALOX15TAS2R14
SCHEMBL27815764 0.96 LMNA (0.60) LMNAGAAALDH1A1ALOX15TAS2R14
SCHEMBL27794599 0.96 LMNA (0.60) LMNAGAAALDH1A1ALOX15TAS2R14
Ammonia Solution, Strong SCHEMBL27794593 0.96 LMNA (0.60) LMNAGAAALDH1A1ALOX15TAS2R14
SCHEMBL9461001 0.96 LMNA (0.60) LMNAGAAALDH1A1ALOX15TAS2R14
Ethylene SCHEMBL714453 0.94 LMNA (0.58) LMNAGAAALDH1A1ALOX15TAS2R14
Formic Acid SCHEMBL27990904 0.90 LMNA (0.55) LMNAGAAALDH1A1ALOX15TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817299-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Limited (IN) 2014-12-31 EP claimed
WO-2013124828-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-08-29 WO claimed
EP-3612530-A1 MESOIONIC IMIDAZOPYRIDINES AS INSECTICIDES Bayer Aktiengesellschaft (DE) 2020-02-26 EP disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-08-03 US disclosed
EP-3039018-B1 PYRIDYL CARBOXAMIDE DERIVATIVES WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2017-08-02 EP disclosed
EP-3172193-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT Bayer Animal Health GmbH (DE) 2017-05-31 EP disclosed
EP-3057939-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS Bayer Animal Health GmbH (DE) 2016-08-24 EP disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US disclosed
US-20080086008-A1 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
EP-1833793-A1 PROCESS FOR THE PREPARATION OF A 2-ETHYLAMINOPYRIDINE DERIVATIVE Bayer CropScience S.A. (FR) 2007-09-19 EP disclosed
EP-1831169-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2007-09-12 EP disclosed
US-20060178513-A1 Pyridinylanilides BAYER CROPSCIENCE AG (DE) 2006-08-10 US disclosed
WO-2006067103-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-06-29 WO disclosed
WO-2006067106-A1 PROCESS FOR THE PREPARATION OF A 2-ETHYLAMINOPYRIDINE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-06-29 WO disclosed
EP-1674455-A1 Process for the preparation of a 2-ethylaminopyridine derivative Bayer CropScience S.A. (FR) 2006-06-28 EP disclosed
EP-1656020-A2 PYRIDINYLANILIDES Bayer CropScience AG (DE) 2006-05-17 EP disclosed
WO-2005004606-A2 PYRIDINYLANILIDES BAYER CROPSCIENCE AG (DE) 2005-01-20 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-20060178513-A1 Pyridinylanilides C3AR1, C5, PADI1 GAA 2236/4885HDAC8 4753/4885KCNK3 2328/4885
US-20080086008-A1 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide DDT, PFAS, AADAC GAA 844/4885HDAC8 897/4885KCNK3 299/4885
US-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT ACHE, COX5B, TUBB6 GAA 271/4885HDAC8 1040/4885KCNK3 3404/4885
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 GAA 1800/4885HDAC8 380/4885KCNK3 1841/4885
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT GAA 246/4885HDAC8 2111/4885KCNK3 2227/4885

“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.