SCHEMBL12029457

SCHEMBL12029457

O=C(Nc1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)[nH]c12)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ PLA2G7 Q13093 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 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ PIK3C3 Q8NEB9 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KIT P10721 1/20 0.40

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
SCHEMBL12029453 0.85 PLA2G7 (0.47) SMN1; SMN2ALDH1A1TSHRPLA2G7MAPT
SCHEMBL9980921 0.84 BRAF (0.49) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12220067 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029461 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029302 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029443 0.77 SGMS2 (0.48) ALDH1A1TSHRMEN1KMT2ABRAF
SCHEMBL12029402 0.75 TLR7 (0.49) ALDH1A1PLA2G7HDAC1BRAFCSNK2A1
SCHEMBL12661885 0.75 PARP1 (0.53) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12220201 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ALOX15TSHRMCL1
SCHEMBL12029431 0.73 CSNK2A2 (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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.

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