Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3854539

CN1CN(CC(=O)c2ccccc2)c2ccccc21.Cl

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A known ✓ P08908 2/20 0.40
▸ MAPT P10636 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ GFER P55789 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL14470693 0.86 CXCR3 (0.49) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14758551 0.86 ALPL (0.37) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17792927 0.85 POLB (0.42) MAPTKDM4EALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL3849376 0.81 RAB9A (0.48) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
Benzoic Acid SCHEMBL28611152 0.76 DRD3 (0.41) MAPTALDH1A1CES1
Bromide SCHEMBL11567156 0.74 MEN1 (0.48) MAPTALDH1A1KMT2AMEN1ALOX15
Hydrochloric Acid SCHEMBL5144204 0.73 ALDH1A1 (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL20121231 0.73 CA12 (0.45) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL29250276 0.73 GAA (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL11995108 0.73 ALDH1A1 (0.43) MAPTKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 — — EP disclosed
US-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 — — US disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 — — US disclosed
US-7432254-B2 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. (US) 2008-10-07 — — US disclosed
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 — — US disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 — — US disclosed
EP-1305024-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON INC (US) 2006-03-22 — — EP disclosed
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 — — EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 — — US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 — — EP disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 — — US disclosed
EP-1305024-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC Alteon, Inc. (US) 2003-05-02 — — EP disclosed
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID SYNVISTA THERAPEUTICS, INC. 2002-11-28 — — US disclosed
US-20020160993-A1 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. 2002-10-31 — — US disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 — — WO disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 — — US disclosed
WO-2002007725-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON, INC. (US) 2002-01-31 — — 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 (8 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 HTR1A 3411/4885MAPT 3022/4885RAB9A 2851/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 HTR1A 1524/4885MAPT 2131/4885RAB9A 2313/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 HTR1A 3363/4885MAPT 3408/4885RAB9A 3660/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 HTR1A 4016/4885MAPT 4025/4885RAB9A 2963/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 HTR1A 3245/4885MAPT 2569/4885RAB9A 3397/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 HTR1A 3177/4885MAPT 2807/4885RAB9A 3572/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX HTR1A 4365/4885MAPT 3982/4885RAB9A 3066/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 HTR1A 2427/4885MAPT 4108/4885RAB9A 4074/4885

“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.

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