SCHEMBL10108049

SCHEMBL10108049

CC(=O)NCCNC(c1ccccc1)c1ccc2[nH]c(=O)c(C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
BRD4 O60885 1/20 0.43
MTNR1A P48039 7/20 0.41
MTNR1B P49286 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GRM1 Q13255 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 4/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL10102503 0.86 BRD4 (0.47) KDM4EHSD17B10ALDH1A1BRD4GRM1
SCHEMBL10102500 0.84 BRD4 (0.42) KDM4EHSD17B10ALDH1A1BRD4SMN1; SMN2
SCHEMBL10108046 0.83 BRD4 (0.46) KDM4EHSD17B10ALDH1A1CYP1A2BRD4
SCHEMBL10102447 0.80 BRD4 (0.53) KDM4EHSD17B10ALDH1A1BRD4GRM1
SCHEMBL10102497 0.79 DUT (0.47) KDM4EHSD17B10ALDH1A1BRD4GRM1
SCHEMBL10102494 0.79 KMT2A (0.41) KDM4EHSD17B10ALDH1A1BRD4SMN1; SMN2
SCHEMBL10102383 0.77 BRD4 (0.49) KDM4EHSD17B10ALDH1A1BRD4GRM1
SCHEMBL10102393 0.75 BRD4 (0.55) KDM4EALDH1A1BRD4GRM1MAPT
SCHEMBL10102452 0.74 TP53 (0.43) KDM4EHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL20017610 0.73 ADRA1D (0.35) KDM4EHSD17B10ALDH1A1BRD4SMN1; 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 10 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-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-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
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 KDM4E 518/4885HSD17B10 2484/4885ALDH1A1 278/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 KDM4E 665/4885HSD17B10 2269/4885ALDH1A1 210/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 KDM4E 665/4885HSD17B10 2269/4885ALDH1A1 210/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 KDM4E 665/4885HSD17B10 2269/4885ALDH1A1 210/4885

“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.