SCHEMBL1625752

SCHEMBL1625752

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
VCAM1 P19320 2/20 0.61
MAPT P10636 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 3/20 0.52
RAF1 P04049 1/20 0.52
HPGD P15428 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
BCL2L1 Q07817 2/20 0.48
TSHR P16473 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL31174170 0.90 LMNA (0.77) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL865520 0.90 LMNA (0.77) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL144666 0.86 MAPK1 (0.77) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL11714590 0.86 LMNA (0.66) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL6806851 0.86 MAPK1 (0.77) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL11025417 0.84 TSHR (0.65) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL10808103 0.84 LMNA (0.64) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL10477444 0.84 LMNA (0.64) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL10383201 0.84 VCAM1 (0.87) LMNAVCAM1MAPTMEN1KMT2A
SCHEMBL1252132 0.84 LMNA (0.59) LMNAMAPTMEN1KMT2AALDH1A1

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 19 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
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
EP-1709011-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2 QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-11 EP disclosed
WO-2005054209-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2 QUINOXALINONES AS POLY(ADP-­RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-16 WO disclosed
EP-0040582-B1 AZO COMPOUNDS CIBA-GEIGY AG (CH) 1985-03-20 EP disclosed
EP-0040582-A2 Azo compounds CIBA-GEIGY AG (CH) 1981-11-25 EP disclosed
US-3978038-A POLYAMIDES, POLYESTERS, POLYURETHANES CIBA-GEIGY CORPORATION (US) 1976-08-31 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 LMNA 180/4885VCAM1 3984/4885MAPT 2275/4885
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 LMNA 783/4885VCAM1 2312/4885MAPT 2479/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 LMNA 111/4885VCAM1 2713/4885MAPT 2886/4885
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 LMNA 187/4885VCAM1 2873/4885MAPT 3352/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 LMNA 111/4885VCAM1 2713/4885MAPT 2886/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 LMNA 111/4885VCAM1 2713/4885MAPT 2886/4885

“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.