SCHEMBL12029220

SCHEMBL12029220

O=C(Nc1ccccn1)c1cccc2c(=O)n(CCN3CCCC3)c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 5/20 0.44
▸ GRIN2B Q13224 5/20 0.44
▸ TRPV4 Q9HBA0 6/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MET P08581 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MCHR1 Q99705 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
SCHEMBL12029213 0.89 ADORA1 (0.43) GRIN1GRIN2BTRPV4MEN1KMT2A
SCHEMBL12029210 0.87 MAPT (0.42) TRPV4RXFP1MEN1KMT2APIK3CA
SCHEMBL12029212 0.85 ALDH1A1 (0.41) GRIN1GRIN2BTRPV4PIK3CATP53
SCHEMBL9980944 0.84 ALDH1A1 (0.44) MEN1KMT2APIK3CATP53POLB
SCHEMBL12029168 0.79 OPRK1 (0.47) GRIN1GRIN2BTRPV4RXFP1ACP1
SCHEMBL12029357 0.79 TRPV4 (0.41) TRPV4ACP1
SCHEMBL12029378 0.79 SIGMAR1 (0.42) TRPV4MEN1KMT2AACP1
SCHEMBL12029222 0.78 WNT1 (0.44) METPOLB
SCHEMBL465833 0.76 SCN10A (0.42) TRPV4MEN1KMT2A
SCHEMBL12029127 0.76 NPC1 (0.45) MEN1KMT2APIK3CATP53POLB

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 GRIN1 3216/4885GRIN2B 3776/4885TRPV4 3905/4885

“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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