SCHEMBL12029438

SCHEMBL12029438

O=C(Nc1cnccn1)c1cccc2c(=O)cc(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CNR2 P34972 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
SCHEMBL12029395 0.86 ALOX15 (0.55) ALDH1A1RAB9ASMN1; SMN2GSK3BSIRT2
SCHEMBL12029437 0.86 SMN1; SMN2 (0.41) ALDH1A1RAB9ASMN1; SMN2GSK3BSIRT2
SCHEMBL12029451 0.84 NPY5R (0.44) ALDH1A1RAB9ASMN1; SMN2SIRT2
SCHEMBL12029461 0.82 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL12029436 0.81 MGAM (0.52) KMT2APOLBMEN1ALDH1A1RAB9A
SCHEMBL465964 0.74 GRM5 (0.48) KMT2APOLBMEN1ALDH1A1RAB9A
SCHEMBL12029415 0.73 CHRNB2 (0.45) —
SCHEMBL31061064 0.72 ADORA2A (0.72) KDM4E
SCHEMBL7920166 0.72 ADORA2A (0.72) KDM4E
SCHEMBL12029454 0.70 KMT2A (0.47) KMT2APOLBMEN1ALDH1A1RAB9A

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 KMT2A 1929/4885POLB 1265/4885MEN1 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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