SCHEMBL12029451

SCHEMBL12029451

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ MAPKAPK2 P49137 4/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN10A Q9Y5Y9 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 0.87 ALOX15 (0.55) NPY5RALOX15TSHRCASP1NPSR1
SCHEMBL12029438 0.84 KMT2A (0.47) SIRT2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12029437 0.83 SMN1; SMN2 (0.41) MAPKAPK2ALOX15TSHRCASP1NPSR1
SCHEMBL12029433 0.83 LMNA (0.43) HSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12673087 0.77 DHODH (0.59) NPY5RABL1ALOX15TSHRCASP1
SCHEMBL12029454 0.77 KMT2A (0.47) NPSR1HSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL465964 0.76 GRM5 (0.48) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1032899 0.75 SIRT2 (0.51) NPY5RABL1MAPKAPK2ALOX15TSHR
SCHEMBL12029432 0.73 HPGD (0.43) ALOX15HSD17B10SIRT2ALDH1A1RAB9A
SCHEMBL12029393 0.72 RXFP1 (0.49) ABL1ALDH1A1

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 NPY5R 435/4885ABL1 3484/4885MAPKAPK2 1759/4885

“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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