Hydrochloric Acid

Hydrochloric Acid

SCHEMBL245685

COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC.Cl

nearest known ligand 0.98

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 4)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.72
GAA known ✓ P10253 1/20 0.66
QPCT Q16769 19/20 0.98
QPCTL Q9NXS2 1/20 0.98

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
SCHEMBL76693 0.99 QPCT (1.00) QPCTQPCTLMAOBGAA
SCHEMBL29410444 0.99 QPCT (1.00) QPCTQPCTLMAOBGAA
SCHEMBL2081279 0.96 QPCT (1.00) QPCTQPCTLMAOB
SCHEMBL78461 0.92 QPCT (1.00) QPCTQPCTLMAOB
SCHEMBL76801 0.88 QPCT (1.00) QPCTQPCTLMAOBGAA
SCHEMBL76307 0.86 QPCT (1.00) QPCTQPCTL
SCHEMBL85708 0.85 QPCT (0.79) QPCTQPCTLMAOBGAA
SCHEMBL77178 0.84 QPCT (1.00) QPCTQPCTLMAOBGAA
SCHEMBL78943 0.84 QPCT (1.00) QPCTQPCTLMAOBGAA
SCHEMBL77755 0.83 QPCT (1.00) QPCTQPCTLMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US claimed
US-8518406-B2 Antibodies directed against pyroglutamate monocyte chemoattractant protein-1 (MCP-1 N1pE) PROBIODRUG AG (DE) 2013-08-27 US claimed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US claimed
EP-2481408-A2 New use of glutaminyl cyclase inhibitors Probiodrug AG (DE) 2012-08-01 EP claimed
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2012-07-19 US claimed
JP-2012500016-A 2012-01-05 JP claimed
EP-2328930-A1 ANTIBODIES DIRECTED AGAINST PYROGLUTAMATE MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1 N1PE) Probiodrug AG (DE) 2011-06-08 EP claimed
US-7732162-B2 Inhibitors of glutaminyl cyclase for treating neurodegenerative diseases PROBIODRUG AG (DE) 2010-06-08 US claimed
US-20100119478-A1 ANTIBODIES DIRECTED AGAINST PYROGLUTAMATE MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1 N1pE) PROBIODRUG AG (DE) 2010-05-13 US claimed
WO-2010020669-A1 ANTIBODIES DIRECTED AGAINST PYROGLUTAMATE MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1 N1PE) PROBIODRUG AG (DE) 2010-02-25 WO claimed
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES PROBIODRUG AG (DE) 2010-02-18 US claimed
EP-2117540-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2009-11-18 EP claimed
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2009-03-12 US claimed
WO-2008104580-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-09-04 WO claimed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US claimed
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed
US-20150361167-A1 ANTIBODIES DIRECTED AGAINST PYROGLUTAMATE MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1 N1PE) PROBIODRUG AG (DE) 2015-12-17 US disclosed
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2009-03-12 US disclosed
WO-2008104580-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-09-04 WO disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 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 (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-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, QPCT, GLS2 MAOB 2442/4885GAA 324/4885QPCT 2/4885
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES QPCT, GLS, GLUL MAOB 1280/4885GAA 65/4885QPCT 1/4885
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLS MAOB 2665/4885GAA 370/4885QPCT 1/4885
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLUL MAOB 2608/4885GAA 356/4885QPCT 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.