Hydrochloric Acid

Hydrochloric Acid

SCHEMBL308182

Cl.N=C(N)Nc1ccc(C(=O)NC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.40

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
GAA known ✓ P10253 2/20 0.39
HDAC1 known ✓ Q13547 1/20 0.37
KMT2A Q03164 8/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 7/20 0.39
THRA P10827 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RORC P51449 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5500303 0.99 KMT2A (0.40) KMT2AMAPTALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL307960 0.87 F7 (0.45) MAPTHDAC1F10
Hydrochloric Acid SCHEMBL6544447 0.87 F10 (0.42) F10PLAU
SCHEMBL5494187 0.86 F7 (0.46) MAPTHDAC1KDM4EF10
SCHEMBL5499067 0.86 F10 (0.42) F10PLAU
SCHEMBL5493594 0.85 RORC (0.39) KMT2AMAPTALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL308853 0.82 F10 (0.37) KMT2AMAPTMEN1F10PLAU
SCHEMBL4359370 0.81 F2 (0.38) KMT2AMAPTMEN1HDAC1F10
SCHEMBL308627 0.81 F2 (0.38) KMT2AMAPTMEN1HDAC1F10
Hydrochloric Acid SCHEMBL6544392 0.79 MAPT (0.43) KMT2AMAPTALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226624-A1 Combined treatment of cancer by urokinase inhibition and a cytostatic anti-cancer agent for enhancing the anti-metastatic effect WILEX AG (DE) 2008-09-18 US claimed
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP claimed
US-20040266766-A1 Selective urokinase inhibitors WILEX AG (DE) 2004-12-30 US claimed
US-20120165287-A1 COMBINED TREATMENT OF CANCER BY UROKINASE INHIBITION AND A CYTOSTATIC ANTI-CANCER AGENT FOR ENHANCING THE ANTI-METASTATIC EFFECT WILEX AG (DE) 2012-06-28 US disclosed
US-8093258-B2 Use of urokinase inhibitors for the treatment and/or prevention of neuropathological diseases WILEX AG (DE) 2012-01-10 US disclosed
EP-1893185-B1 USE OF UROKINASE INHIBITORS FOR THE TREATMENT AND/OR PREVENTION OF AMYOTROPhIC LATERAL SCLEROSIS (ALS) WILEX AG (DE) 2009-09-16 EP disclosed
EP-2087885-A1 Use of urokinase inhibitors for the treatment and /or prevention of neuropathological diseases Wilex AG (DE) 2009-08-12 EP disclosed
US-20090069251-A1 Use Of Urokinase Inhibitors for the Treatment and/or Prevention of Neuropathological Diseases WILEX AG (DE) 2009-03-12 US disclosed
US-20080226624-A1 Combined treatment of cancer by urokinase inhibition and a cytostatic anti-cancer agent for enhancing the anti-metastatic effect WILEX AG (DE) 2008-09-18 US disclosed
EP-1893185-A2 USE OF UROKINASE INHIBITORS FOR THE TREATMENT AND/OR PREVENTION OF NEUROPATHOLOGICAL DISEASES Wilex AG (DE) 2008-03-05 EP disclosed
WO-2006136419-A2 USE OF UROKINASE INHIBITORS FOR THE TREATMENT AND/OR PREVENTION OF NEUROPATHOLOGICAL DISEASES WILEX AG (DE) 2006-12-28 WO disclosed
US-20040266766-A1 Selective urokinase inhibitors WILEX AG (DE) 2004-12-30 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-20040266766-A1 Selective urokinase inhibitors PLAU, PLAUR, SERPINE1 GAA 1142/4885HDAC1 2231/4885KMT2A 3643/4885
US-20080226624-A1 Combined treatment of cancer by urokinase inhibition and a cytostatic anti-cancer agent for enhancing the anti-metastatic effect PLAU, PLAUR, SERPINE1 GAA 865/4885HDAC1 1338/4885KMT2A 3864/4885
US-20120165287-A1 COMBINED TREATMENT OF CANCER BY UROKINASE INHIBITION AND A CYTOSTATIC ANTI-CANCER AGENT FOR ENHANCING THE ANTI-METASTATIC EFFECT PLAU, PLAUR, SERPINE1 GAA 865/4885HDAC1 1338/4885KMT2A 3864/4885
US-20090069251-A1 Use Of Urokinase Inhibitors for the Treatment and/or Prevention of Neuropathological Diseases PLAU, SERPINE1, PLAUR GAA 117/4885HDAC1 1374/4885KMT2A 3662/4885

“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.