SCHEMBL12029317

SCHEMBL12029317

O=C(Nc1ccccn1)c1cccc2c(=O)[nH]c(-c3cccc(OC(F)F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ TNKS O95271 3/20 0.40
▸ TNKS2 Q9H2K2 3/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 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
SCHEMBL12029304 0.87 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12029324 0.85 NPC1 (0.44) GRM4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12029142 0.84 PARP1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12029319 0.81 ALDH1A1 (0.42) GRM4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12029316 0.80 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12029310 0.76 PARP1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL12029308 0.76 NPC1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL12029299 0.76 SMN1; SMN2 (0.48) GRM4ALDH1A1NPC1RAB9AMEN1
SCHEMBL12662254 0.72 DHODH (0.48) GRM5PARP1DHODHPARP2
SCHEMBL12029126 0.71 NPC1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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 6 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
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
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 GRM4 3695/4885CHRNB2 3434/4885CHRNB4 3428/4885

“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.

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