SCHEMBL6371315

SCHEMBL6371315

CCc1cc(-c2ccc(CN3CCC(c4ccccc4)CC3)s2)c(C)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CDC7 O00311 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ OGA O60502 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ DRD2 P14416 4/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DRD3 P35462 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ HTR7 P34969 2/20 0.37

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 SCHEMBL2673355 0.99 KDM4E (0.45) KDM4EALDH1A1CDC7ROCK1DBF4
SCHEMBL6372506 0.87 MEN1 (0.46) KDM4EALDH1A1PARP1HTTSMN1; SMN2
SCHEMBL6372169 0.86 OPRK1 (0.38) KDM4EALDH1A1CDC7ROCK1DBF4
Hydrochloric Acid SCHEMBL2673933 0.86 MEN1 (0.46) KDM4EALDH1A1PARP1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2674131 0.85 OPRK1 (0.38) KDM4EALDH1A1CDC7ROCK1DBF4
SCHEMBL6372062 0.84 CCNC (0.39) KDM4EALDH1A1CDC7ROCK1DBF4
SCHEMBL6372810 0.84 CDC7 (0.44) CDC7ROCK1DBF4PARP1OPRK1
SCHEMBL6371157 0.83 KDM4E (0.40) KDM4EALDH1A1CDC7ROCK1DBF4
Hydrochloric Acid SCHEMBL2674323 0.83 CDC7 (0.38) KDM4EALDH1A1CDC7ROCK1DBF4
SCHEMBL6371371 0.83 OPRK1 (0.39) ALDH1A1OPRK1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — 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 (2 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 KDM4E 1262/4885ALDH1A1 280/4885CDC7 1271/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 KDM4E 1262/4885ALDH1A1 280/4885CDC7 1271/4885

“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.

Send feedback