SCHEMBL10102442

SCHEMBL10102442

CC(=O)Nc1ccc(C(Cl)c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDE7A Q13946 1/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
APP P05067 1/20 0.48
KCNMA1 Q12791 3/20 0.46
PKM P14618 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
POLB P06746 1/20 0.46
PHGDH O43175 1/20 0.45
EPAS1 Q99814 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL10102441 0.88 MAPT (0.53) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL10712446 0.84 MAPT (0.64) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL10108042 0.83 MAPT (0.48) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL9198089 0.83 MAPT (0.56) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL978801 0.82 MAPT (0.61) MAPTNPSR1KMT2AHTTPKM
SCHEMBL10107804 0.82 MAPT (0.49) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL10102440 0.80 KMT2A (0.60) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL9196220 0.80 MAPT (0.58) MAPTNPSR1KMT2AHTTPKM
SCHEMBL11660364 0.79 MAPT (0.54) MAPTNPSR1PDE7AKMT2AHTT
SCHEMBL28921806 0.78 MAPT (0.57) MAPTNPSR1KMT2AHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115084-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-08-25 US disclosed
EP-1709011-B1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2 QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 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-8450486-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US disclosed
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE (FR) 2012-02-23 US disclosed
US-8071612-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-06 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-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-05-26 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-7855207-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-12-21 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-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN-CILAG (FR) 2007-03-29 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 (6 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-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors PARP1, PARP6, PARP2 MAPT 2275/4885NPSR1 2832/4885PDE7A 1230/4885
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 MAPT 2479/4885NPSR1 2503/4885PDE7A 4023/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 MAPT 2886/4885NPSR1 3556/4885PDE7A 1651/4885
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 MAPT 3352/4885NPSR1 2958/4885PDE7A 1597/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 MAPT 2886/4885NPSR1 3556/4885PDE7A 1651/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 MAPT 2886/4885NPSR1 3556/4885PDE7A 1651/4885

“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.