SCHEMBL668743

SCHEMBL668743

O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
MAPT P10636 5/20 0.62
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GSK3B P49841 1/20 0.56
GLA P06280 1/20 0.56
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL1753283 0.84 RAB9A (0.85) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL8985359 0.84 NPC1 (0.59) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL28872876 0.84 PKM (0.62) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL4319309 0.83 CES2 (0.61) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL199347 0.83 CRHBP (0.62) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3672574 0.83 POLB (0.57) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28872879 0.82 MAPT (0.52) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL28021892 0.81 MAPT (0.54) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL13236074 0.80 MAPT (0.53) RAB9AMAPTALDH1A1KMT2AMEN1
SCHEMBL10477098 0.80 GSK3B (0.51) MAPTALDH1A1KMT2AMEN1HTT

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
CN-109705051-B 2, 4, 5-trisubstituted oxazole and synthesis method thereof 湖南城市学院 2022-09-23 CN 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 NPC1 3454/4885RAB9A 2064/4885MAPT 2275/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 NPC1 3229/4885RAB9A 1477/4885MAPT 2886/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 NPC1 3229/4885RAB9A 1477/4885MAPT 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 NPC1 3229/4885RAB9A 1477/4885MAPT 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.