SCHEMBL2673475

SCHEMBL2673475

Cc1[nH]c(=O)c2ccccc2c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ TNKS2 Q9H2K2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TNKS O95271 2/20 0.47
▸ PARP15 Q460N3 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ CASP6 P55212 2/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL16740918 0.83 PDE3B (0.53) PARP1KDM4ETNKS2ALDH1A1TNKS
SCHEMBL917825 0.75 SERPINE1 (0.58) PARP1KDM4ETNKS2ALDH1A1TNKS
SCHEMBL29914858 0.75 MEN1 (0.47) PARP1KDM4ETNKS2ALDH1A1TNKS
SCHEMBL29914921 0.75 PARP1 (0.47) PARP1KDM4ETNKS2ALDH1A1TNKS
SCHEMBL31047695 0.74 PARP1 (0.49) PARP1TNKS2TNKSSERPINE1HPGD
SCHEMBL29374295 0.74 AHR (0.61) KDM4ETNKS2ALDH1A1MEN1LMNA
SCHEMBL1757709 0.74 AHR (0.61) KDM4ETNKS2ALDH1A1MEN1LMNA
SCHEMBL31047677 0.73 SERPINE1 (0.44) PARP1KDM4ETNKS2ALDH1A1TNKS
SCHEMBL1470937 0.73 PARP15 (0.52) KDM4ETNKS2ALDH1A1PARP15MEN1
SCHEMBL25004045 0.72 PARP1 (0.47) PARP1KDM4ETNKS2ALDH1A1TNKS

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 6 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 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-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO 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 PARP1 1/4885KDM4E 1262/4885TNKS2 18/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 PARP1 1/4885KDM4E 1262/4885TNKS2 18/4885

“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