SCHEMBL10102434

SCHEMBL10102434

CC(=O)Nc1ccc(CC(c2ccc(Cl)cc2)n2ccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP24A1 Q07973 7/20 0.43
CYP27B1 O15528 2/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CYP17A1 P05093 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 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
SCHEMBL12311719 0.91 CYP24A1 (0.47) CYP19A1CYP24A1MAPTNPSR1POLB
SCHEMBL12049974 0.82 CYP19A1 (0.50) CYP19A1CYP24A1CYP27B1CYP17A1
SCHEMBL10102437 0.81 MAPT (0.42) MAPTNPSR1TRPV1POLBPKM
SCHEMBL10107804 0.80 MAPT (0.49) MAPTNPSR1TRPV1POLBPKM
SCHEMBL9727815 0.80 CYP17A1 (0.47) CYP19A1CYP24A1MAPTNPSR1POLB
SCHEMBL10581927 0.79 MAPT (0.48) CYP19A1MAPTNPSR1POLBPKM
SCHEMBL10108042 0.79 MAPT (0.48) MAPTNPSR1TRPV1POLBPKM
SCHEMBL10582410 0.77 MAPT (0.46) CYP19A1MAPTNPSR1POLBPKM
SCHEMBL10581180 0.75 ALDH1A1 (0.61) CYP19A1MAPTNPSR1POLBPKM
SCHEMBL10580653 0.75 CYP19A1 (0.51) CYP19A1MAPTNPSR1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687277-B1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-04 EP disclosed
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
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-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-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-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-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 (4 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 CYP19A1 918/4885CYP24A1 4144/4885CYP27B1 3273/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP19A1 990/4885CYP24A1 4162/4885CYP27B1 3571/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP19A1 990/4885CYP24A1 4162/4885CYP27B1 3571/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP19A1 990/4885CYP24A1 4162/4885CYP27B1 3571/4885

“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.