Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5127992

Cl.O=c1ccnc2ccccn12

nearest known ligand 0.96

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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
GLA known ✓ P06280 2/20 0.42
GAA known ✓ P10253 2/20 0.42
CSF1R known ✓ P07333 1/20 0.42
KDR known ✓ P35968 1/20 0.42
ACVR1 known ✓ Q04771 1/20 0.42
ROCK1 known ✓ Q13464 1/20 0.42
HSP90AA1 known ✓ P07900 1/20 0.39
HSP90AB1 known ✓ P08238 1/20 0.39
FLT3 known ✓ P36888 1/20 0.39
ADORA3 P0DMS8 2/20 0.96
GRM5 P41594 2/20 0.53
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
DYRK1A Q13627 2/20 0.42
CHEK1 O14757 1/20 0.42

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 SCHEMBL10598992 1.00 ADORA3 (0.96) ADORA3GRM5KDM4EALDH1A1GLA
SCHEMBL174735 0.98 ADORA3 (1.00) ADORA3GRM5KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5129999 0.96 ADORA3 (0.96) ADORA3GRM5KDM4EALDH1A1GLA
Trifluoroacetic Acid SCHEMBL5132448 0.84 ADORA3 (0.73) ADORA3GRM5KDM4EALDH1A1GLA
SCHEMBL3326263 0.82 ADORA3 (0.71) ADORA3GRM5KDM4EALDH1A1GLA
SCHEMBL20602860 0.77 ADORA3 (0.61) ADORA3GRM5KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL29784836 0.76 ADORA3 (0.58) ADORA3GRM5KDM4EALDH1A1GAA
Purine SCHEMBL6010896 0.75 ADORA3 (0.58) ADORA3GRM5KDM4EALDH1A1GLA
SCHEMBL29536061 0.73 ADORA3 (0.60) ADORA3KDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL6445246 0.73 ADORA3 (0.55) ADORA3GRM5KDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-11382918-B2 Methods for treating Huntington's Disease PTC THERAPEUTICS, INC. (US) 2022-07-12 US disclosed
US-10851101-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2020-12-01 US disclosed
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2018-04-19 US disclosed
EP-2812004-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-12-17 EP disclosed
WO-2013119916-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-15 WO disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B GLA 3442/4885GAA 2931/4885CSF1R 3343/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 GLA 338/4885GAA 14/4885CSF1R 4585/4885
US-10851101-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 GLA 333/4885GAA 13/4885CSF1R 4312/4885
US-11382918-B2 Methods for treating Huntington's Disease HTT, HYPK, PARK7 GLA 121/4885GAA 32/4885CSF1R 4675/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 GLA 348/4885GAA 22/4885CSF1R 4427/4885

“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.