SCHEMBL465897

SCHEMBL465897

COC(=O)c1cccc2c(=O)oc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
TOP2A P11388 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
NOTUM Q6P988 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
KMT2A Q03164 6/20 0.42
HPGD P15428 2/20 0.42
F2 P00734 1/20 0.42
MEN1 O00255 5/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.42
UTRN P46939 1/20 0.41

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
SCHEMBL465889 0.88 NOTUM (0.47) ALDH1A1MAPTLMNANOTUMCYP1A2
SCHEMBL12048166 0.77 NOTUM (0.47) ALDH1A1MAPTLMNANOTUMCYP1A2
SCHEMBL12049141 0.77 NOTUM (0.47) ALDH1A1MAPTLMNANOTUMCYP1A2
SCHEMBL465868 0.76 MEN1 (0.50) MAPTLMNANOTUMCYP1A2KMT2A
SCHEMBL914428 0.75 HPGD (0.53) ALDH1A1MAPTNOTUMKMT2AHPGD
SCHEMBL18003853 0.75 PPARG (0.54) PPARGPPARAALDH1A1MAPTLMNA
SCHEMBL11400310 0.75 KDM4E (0.60) PPARGPPARATOP2AALDH1A1MAPT
SCHEMBL11390937 0.74 KDM4E (0.50) PPARGPPARATOP2AALDH1A1MAPT
SCHEMBL10344443 0.74 ELANE (0.66) ALDH1A1MAPTLMNANOTUMCYP1A2
SCHEMBL18003375 0.73 PPARG (0.46) PPARGPPARAALDH1A1MAPTNOTUM

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 11 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
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 PPARG 324/4885PPARA 667/4885TOP2A 1075/4885

“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.