Hydrochloric Acid

Hydrochloric Acid

SCHEMBL517817

Cl.O=C(c1ccc(F)cc1)N1CCCCC1

nearest known ligand 0.77

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
HSD11B1 known ✓ P28845 1/20 0.60
CA2 known ✓ P00918 3/20 0.58
HPGD P15428 6/20 0.77
ALDH1A1 P00352 3/20 0.77
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
KDM4E B2RXH2 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
TSHR P16473 1/20 0.64
MLYCD O95822 2/20 0.61
GRM5 P41594 1/20 0.58
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL3355334 0.98 HPGD (0.80) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL18867940 0.98 HPGD (0.80) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL31334408 0.96 HPGD (0.76) HPGDALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5337680 0.94 ALDH1A1 (0.67) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL643480 0.92 ALDH1A1 (0.69) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL7734379 0.88 HPGD (0.65) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL16151536 0.88 HPGD (0.65) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL22305103 0.88 CA12 (0.71) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL6985975 0.88 CA12 (0.71) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL7132525 0.88 HPGD (1.00) HPGDALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4001128-A None JP disclosed
CN-107793362-B Synthesis and application of phenyl pyridazinone derivative 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2016-08-11 US disclosed
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-8987303-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-8980921-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-0294183-B1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO KK (JP) 1994-03-30 EP disclosed
EP-0532629-A4 1994-03-09 EP disclosed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US disclosed
US-5225412-A Antipsychotic HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-06 US disclosed
EP-0532629-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
EP-0511610-A1 Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-04 EP disclosed
US-5143923-A Psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-09-01 US disclosed
JP-H041128-A ANTIARRHYTHMIC AGENT AJINOMOTO CO INC 1992-01-06 JP disclosed
WO-1991018603-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed
EP-0294183-A1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO CO., INC. (JP) 1988-12-07 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 (4 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-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 HSD11B1 1963/4885CA2 3527/4885HPGD 885/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 HSD11B1 1963/4885CA2 3527/4885HPGD 885/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 HSD11B1 1963/4885CA2 3527/4885HPGD 885/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 HSD11B1 1963/4885CA2 3527/4885HPGD 885/4885

“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.