SCHEMBL12311751

SCHEMBL12311751

CCc1nc2ccc(CC(O)c3ccccc3)cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
PARP1 P09874 7/20 0.46
PARP6 Q2NL67 7/20 0.46
PARP2 Q9UGN5 7/20 0.46
PARP3 Q9Y6F1 6/20 0.46
TNKS O95271 4/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL10107872 0.91 KDM4E (0.56) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL12311749 0.88 KDM4E (0.47) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL12336827 0.83 KDM4E (0.58) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL22912787 0.79 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL29396632 0.79 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL12311696 0.79 CYP17A1 (0.46) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL10107809 0.79 KDM4E (0.47) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL29396277 0.77 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL22912736 0.77 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL12336929 0.74 POLB (0.64) KDM4EALDH1A1HPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524714-B2 7-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-09-03 US disclosed
US-8524714-B2 7-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-09-03 US disclosed
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-09-22 US disclosed
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-09-22 US disclosed
US-7928104-B2 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-19 US disclosed
US-7928104-B2 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-19 US disclosed
US-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 US disclosed
US-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 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-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction PARP1, PARP2, PARP3 KDM4E 186/4885PARP1 1/4885PARP6 5/4885
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 KDM4E 770/4885PARP1 1/4885PARP6 6/4885

“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.