SCHEMBL465889

SCHEMBL465889

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMO O15229 2/20 0.44
PARP1 P09874 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL465897 0.88 PPARG (0.51) NOTUMALDH1A1LMNAMAPTPARP1
SCHEMBL442096 0.84 TOP2A (0.48) NOTUMALDH1A1MAPTKMOPARP1
SCHEMBL10344443 0.81 ELANE (0.66) NOTUMALDH1A1LMNAMAPTMEN1
SCHEMBL12048166 0.81 NOTUM (0.47) NOTUMALDH1A1LMNAMAPTMEN1
SCHEMBL12049141 0.81 NOTUM (0.47) NOTUMALDH1A1LMNAMAPTMEN1
SCHEMBL465868 0.80 MEN1 (0.50) NOTUMLMNAMAPTMEN1KMT2A
SCHEMBL441953 0.79 DHODH (0.65) NOTUMALDH1A1MAPTKMOPARP1
SCHEMBL7193264 0.76 NOTUM (0.47) NOTUMALDH1A1LMNAMAPTNPC1
SCHEMBL465933 0.76 ALDH1A1 (0.47) NOTUMALDH1A1LMNAKMOPARP1
SCHEMBL10741223 0.76 HPN (0.61) NOTUMALDH1A1LMNAMAPTMEN1

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 NOTUM 4205/4885ALDH1A1 1976/4885LMNA 2930/4885

“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.