SCHEMBL12029302

SCHEMBL12029302

O=C(Nc1cccc2c(=O)[nH]c(-c3ccccc3C(F)(F)F)nc12)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MCL1 Q07820 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ DYRK3 O43781 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT4 P35916 1/20 0.41

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
SCHEMBL12661885 0.88 PARP1 (0.53) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029305 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029325 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029289 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029050 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL15906706 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029457 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12662006 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12661879 0.78 PARP1 (0.57) SMN1; SMN2TSHRHDAC3HDAC1HDAC2
SCHEMBL12661941 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1

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 SMN1; SMN2 3331/4885ALDH1A1 1976/4885ALOX15 1277/4885

“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.

Send feedback