Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1893690

CCCCc1nc(-c2ccc(OC[C@@H](O)CN(C)C)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1.Cl.Cl

nearest known ligand 0.71

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 8)

geneUniProtsupporting neighboursconfidence
CDK4 known ✓ P11802 3/20 0.43
SLC6A4 known ✓ P31645 7/20 0.39
AGER Q15109 11/20 0.71
CDK2 P24941 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40

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
Hydrochloric Acid SCHEMBL1889343 1.00 AGER (0.71) AGERCDK4CDK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1889347 1.00 AGER (0.71) AGERCDK4CDK2ALDH1A1HPGD
SCHEMBL1889350 0.99 AGER (0.72) AGERCDK4CDK2ALDH1A1HPGD
SCHEMBL1576892 0.99 AGER (0.72) AGERCDK4CDK2ALDH1A1HPGD
SCHEMBL1576905 0.99 AGER (0.72) AGERCDK4CDK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1889808 0.93 AGER (0.73) AGERSLC6A4
Hydrochloric Acid SCHEMBL1888274 0.93 AGER (0.73) AGERSLC6A4
Hydrochloric Acid SCHEMBL1888277 0.93 AGER (0.73) AGERSLC6A4
SCHEMBL1577020 0.92 AGER (0.75) AGERSLC6A4
SCHEMBL1577018 0.92 AGER (0.75) AGERSLC6A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10363241-B2 Substituted imidazole derivatives and methods of use thereof VTV THERAPEUTICS LLC (US) 2019-07-30 US disclosed
US-20190076402-A1 Substituted Imidazole Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-03-14 US disclosed
US-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof VTV THERAPEUTICS LLC 2017-06-08 US disclosed
US-9598375-B2 Substituted imidazole derivatives and methods of use thereof VTV THERAPEUTICS LLC (US) 2017-03-21 US disclosed
EP-2470510-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMERS DISEASE. TRANSTECH PHARMA LLC (US) 2014-05-14 EP disclosed
US-20140039025-A1 Substituted Imidazole Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2014-02-06 US disclosed
US-8580833-B2 Substituted imidazole derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-11-12 US disclosed
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof VTV THERAPEUTICS LLC 2011-05-05 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 (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-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof CYP11B2, CYP2C19, SLC10A2 CDK4 2619/4885SLC6A4 310/4885AGER 1632/4885
US-20140039025-A1 Substituted Imidazole Derivatives and Methods of Use Thereof MAPT, PSEN2, PSEN1 CDK4 2745/4885SLC6A4 216/4885AGER 371/4885
US-20190076402-A1 Substituted Imidazole Derivatives and Methods of Use Thereof CYP3A7, CYP3A5, CYP3A43 CDK4 1658/4885SLC6A4 273/4885AGER 3594/4885
US-10363241-B2 Substituted imidazole derivatives and methods of use thereof CYP3A7, CYP3A5, CYP3A43 CDK4 1658/4885SLC6A4 273/4885AGER 3594/4885
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof AGER, NOD2, PSEN1 CDK4 3078/4885SLC6A4 1234/4885AGER 1/4885

“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.