SCHEMBL7616183

SCHEMBL7616183

COc1ccc(-c2nc(Cl)c(C=O)n2Cc2ccc(-c3ccccc3S(=O)(=O)NC#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 3/20 0.41
EDNRA P25101 2/20 0.40
MAS1 P04201 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL7614979 0.91 AGTR2 (0.41) EDNRAMAS1AGTR2
SCHEMBL7616661 0.90 AGTR2 (0.38) EDNRAAGTR2
SCHEMBL7648006 0.89 MAS1 (0.39) SMN1; SMN2TP53MAS1MAPTGAA
SCHEMBL7611026 0.87 MAS1 (0.52) EDNRAMAS1AGTR2
SCHEMBL7617557 0.84 AGTR2 (0.36) EDNRAAGTR2
SCHEMBL7616129 0.80 PTGES2 (0.33) KDM4EALDH1A1MAS1NPSR1
SCHEMBL7608287 0.80 GP6 (0.59) EDNRAAGTR2
SCHEMBL7651319 0.80 MAS1 (0.42) SMN1; SMN2TP53EDNRAMAS1MAPT
SCHEMBL6807452 0.80 MAS1 (0.34) MAS1AGTR2
SCHEMBL7262643 0.80 PTGDR2 (0.36) SMN1; SMN2LMNAALDH1A1TP53MAS1

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 HTT 2501/4885SMN1; SMN2 2112/4885KDM4E 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.