SCHEMBL465882

SCHEMBL465882

O=c1cc(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.47
PARP1 P09874 2/20 0.45
FBP1 P09467 4/20 0.44
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
CNR1 P21554 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12049289 0.80 KDM4E (0.45) SCN2AMAPTLMNAHPGDCYP1A1
SCHEMBL12048989 0.78 SCN2A (0.42) SCN2APARP1MAPTLMNAHPGD
SCHEMBL910115 0.78 PARP1 (0.49) PARP1FBP1MAPTNPC1MAPK1
SCHEMBL465918 0.77 FBP1 (0.51) SCN2APARP1FBP1MAPTNPC1
SCHEMBL9980808 0.77 FBP1 (0.51) SCN2APARP1FBP1MAPTNPC1
SCHEMBL9980770 0.77 DHODH (0.46) SCN2APARP1MAPTLMNAHPGD
SCHEMBL28307688 0.76 SCN2A (0.52) SCN2AFBP1MAPK1HPGDMEN1
SCHEMBL2534628 0.74 CYP1A1 (0.64) LMNACYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL12029085 0.74 GLA (0.43) MAPTCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL4137128 0.74 KIF11 (0.56) PARP1FBP1MAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
CN-102227420-B Quinazolinone, quinolone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2015-06-24 CN disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
EP-2344475-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO 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 (1 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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SCN2A 3180/4885PARP1 174/4885FBP1 422/4885

“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.