SCHEMBL1387930

SCHEMBL1387930

NC(N)=NC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.56
ASIC3 Q9UHC3 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
HDAC8 Q9BY41 1/20 0.51
DHODH Q02127 1/20 0.51
HTR2B P41595 7/20 0.51
HTR7 P34969 5/20 0.51
SLC9A1 P19634 5/20 0.50
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47

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 SCHEMBL7823537 0.98 KMO (0.55) KMOASIC3PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7825287 0.85 SLC9A1 (0.49) ASIC3HTR2BHTR7SLC9A1
SCHEMBL9392947 0.85 SLC9A1 (0.59) HTR2BHTR7SLC9A1
SCHEMBL27400137 0.85 SLC9A1 (0.55) SLC9A1
SCHEMBL7827609 0.85 SLC9A1 (0.55) SLC9A1
Hydrochloric Acid SCHEMBL7825292 0.84 SIRT2 (0.49) ASIC3HTR2BHTR7SLC9A1
Hydrochloric Acid SCHEMBL7830653 0.83 SLC9A1 (0.58) DHODHHTR2BHTR7SLC9A1
Hydrochloric Acid SCHEMBL7816188 0.83 SLC9A1 (0.58) HTR2BHTR7SLC9A1
SCHEMBL8802133 0.83 SLC9A1 (0.51) DHODHHTR2BHTR7SLC9A1
SCHEMBL5441718 0.83 SLC9A1 (0.53) HTR2BHTR7SLC9A1DRD2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08511243-A 1996-11-26 JP claimed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN claimed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP claimed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO claimed
EP-1097141-B1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-05-23 EP disclosed
EP-1076651-B1 SUBSTITUTED SULPHONYL CYANAMIDES, METHOD FOR PRODUCING SAME AND THEIR USE AS MEDICAMENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
EP-1097140-B1 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6573288-B1 Compounds are inhibitors of the sodium-dependent bicarbonate/chloride ion exchanger which can be used as medicines for the prophylaxis or treatment of a wide range of diseases, for example the treatment and/or prophylaxis of AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-03 US disclosed
US-6486189-B2 TREATMENT OR PROPHYLAXIS OF AN ILLNESS CAUSED BY AN ISCHEMIC CONDITION, OR FOR THE TREATMENT OF IMPAIRED RESPIRATORY DRIVE HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP disclosed
US-20020045761-A1 Five-membered heterocycles having biphenylsulfonyl substitution, process for their preparation, their use as a medicament or diagnostic, and medicament comprising them KLEEMANN HEINZ-WERNER (DE) 2002-04-18 US disclosed
US-6372917-B1 INHIBIT CELLULAR SODIUM ION-DEPENDENT CHLORIDE ION/BICARBONATE-EXCHANGE MECHANISM OR SODIUM/BICARBONATE SYMPORTER; TREATMENT OF ALL ACUTE OR CHRONIC DAMAGE CAUSED BY ISCHEMIA OR ILLNESSES INDUCED THEREBY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-16 US disclosed
WO-1999057102-A1 SUBSTITUTED SULPHONYL CYANAMIDES, METHOD FOR PRODUCING SAME AND THEIR USE AS MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-11 WO disclosed
US-5968978-A ANTIARRYTHMIA AGENTS, ANTIISCHEMIC AGENTS, INHIBIT PROLIFERATION OF CELLS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-10-19 US disclosed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 WO disclosed
EP-0903339-A2 Biphenylsulfonylcyanamides, process for their preparation and their use as medicaments Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP disclosed
EP-0855392-A2 Five-membered heterocycles having biphenylsulphonyl substituents, processes for the preparation thereof, their use as medicaments or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-29 EP disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5731350-A Substituted benzenedicarboxylic acid diguanides, process for their preparation, their use as a medicament or diagnostic, and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
EP-0774457-A1 Substituted benzodicarboxylic acid diguanidines, process for their preparation, and their use as medicament or diagnostic agent HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-21 EP 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 (1 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-20020045761-A1 Five-membered heterocycles having biphenylsulfonyl substitution, process for their preparation, their use as a medicament or diagnostic, and medicament comprising them BAX, BCL2, TNNI3 KMO 1828/4885ASIC3 3700/4885PRSS1 1580/4885

“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.