SCHEMBL465918

SCHEMBL465918

O=C(O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.51
DNA2 P51530 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PIN1 Q13526 1/20 0.42
EIF4E P06730 1/20 0.42
APEX1 P27695 1/20 0.42
PARP1 P09874 1/20 0.41
CNR1 P21554 1/20 0.41
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SCN2A Q99250 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9980808 1.00 FBP1 (0.51) FBP1DNA2CASP6CTDSP1PIN1
SCHEMBL465958 0.85 KDM4E (0.46) FBP1MAPT
SCHEMBL465975 0.77 PIN1 (0.44) PIN1PARP1MAPT
SCHEMBL465882 0.77 SCN2A (0.47) FBP1PARP1CNR1SCN2ANPC1
SCHEMBL13419133 0.75 PIN1 (0.44) PIN1PARP1SCN2ANPC1
SCHEMBL9980706 0.71 TNKS (0.52) PIN1PARP1SCN2ANPC1
SCHEMBL4137128 0.70 KIF11 (0.56) FBP1PARP1NPC1MAPTMAPK1
SCHEMBL8790508 0.70 DNA2 (0.67) FBP1DNA2CASP6CTDSP1APEX1
SCHEMBL32690669 0.69 PARP1 (0.46) FBP1DNA2CASP6CTDSP1PARP1
SCHEMBL8981842 0.68 ALDH1A1 (0.59) FBP1EIF4ESCN2AMAPT

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 5 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
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
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

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 FBP1 422/4885DNA2 1769/4885CASP6 415/4885

“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.