SCHEMBL12029204

SCHEMBL12029204

CC(C)n1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3cnccn3)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPY5R Q15761 3/20 0.44
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CASP1 P29466 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ P4HB P07237 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
SCHEMBL12029122 0.89 BRAF (0.51) BRAFSMN1; SMN2NPY5RGAAALDH1A1
SCHEMBL12029167 0.89 BRAF (0.48) BRAFSMN1; SMN2NPY5RGAAALDH1A1
SCHEMBL12029162 0.88 BRAF (0.50) BRAFSMN1; SMN2NPY5RGAAALDH1A1
SCHEMBL12029165 0.86 BRAF (0.49) BRAFSMN1; SMN2NPY5RGAAALDH1A1
SCHEMBL12029168 0.83 OPRK1 (0.47) BRAFSMN1; SMN2NPY5RGAA
SCHEMBL12029186 0.80 SMN1; SMN2 (0.49) BRAFSMN1; SMN2NPY5RGAAALDH1A1
SCHEMBL9980916 0.79 TLR7 (0.49) BRAFNPY5RL3MBTL1MAPTKDM4E
SCHEMBL12029282 0.79 SMN1; SMN2 (0.48) BRAFSMN1; SMN2GAAALDH1A1ALOX15
SCHEMBL12029050 0.79 SMN1; SMN2 (0.49) BRAFSMN1; SMN2NPY5RGAAALDH1A1
SCHEMBL12029179 0.78 NPY5R (0.45) BRAFSMN1; SMN2NPY5RTSHRHTT

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 BRAF 3247/4885SMN1; SMN2 3331/4885NPY5R 435/4885

“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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