SCHEMBL12029324

SCHEMBL12029324

O=C(Nc1ccccn1)c1cccc2c(=O)[nH]c(-c3ccccc3OC(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ FGFR3 P22607 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL12029308 0.87 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029316 0.86 CHRNB2 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029317 0.85 GRM4 (0.43) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029310 0.82 PARP1 (0.48) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029321 0.80 NPC1 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029304 0.79 CHRNB2 (0.43) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029289 0.76 SMN1; SMN2 (0.50) MEN1KMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL12029142 0.75 PARP1 (0.48) NPC1RAB9AMEN1KMT2ACHRNB2
SCHEMBL12662135 0.73 CHRNB2 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12662183 0.72 PDE5A (0.48) NPC1RAB9AMEN1KMT2ATP53

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
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — 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
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 NPC1 3833/4885RAB9A 493/4885MEN1 3125/4885

“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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