SCHEMBL7616129

SCHEMBL7616129

N#CNS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2C=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.33
MAS1 P04201 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FBP1 P09467 1/20 0.33
VDR P11473 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7609717 0.92 AGTR1 (0.38) ALOX5APFEN1
SCHEMBL6807452 0.91 MAS1 (0.34) MAS1
SCHEMBL7616527 0.90 MAS1 (0.43) MAS1MEN1KMT2A
SCHEMBL7617888 0.89 MAS1 (0.37) PTGES2MAS1ALDH1A1MEN1KMT2A
SCHEMBL7614979 0.88 AGTR2 (0.41) MAS1
SCHEMBL7690753 0.87 PTGES2 (0.38) PTGES2MAS1FBP1VDRMEN1
SCHEMBL5173529 0.87 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL5174969 0.87 MAS1 (0.37) MAS1
SCHEMBL5175143 0.86 PTGES2 (0.39) PTGES2VDRALOX5APFEN1MEN1
SCHEMBL7616661 0.84 AGTR2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335451-B1 ANTIARRYTHMIA AGENTS, ANTIPROLIFERATIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-01-01 US claimed
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
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-6335451-B1 ANTIARRYTHMIA AGENTS, ANTIPROLIFERATIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-01-01 US 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

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 PTGES2 1421/4885MAS1 2342/4885KDM4E 776/4885

“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.