SCHEMBL12029186

SCHEMBL12029186

Cn1c(-c2ccc(C(F)(F)F)cc2)nc2c(NC(=O)c3cnccn3)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ BRAF P15056 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL12029226 0.92 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL12029122 0.91 BRAF (0.51) SMN1; SMN2BRAFALDH1A1ALOX15TSHR
SCHEMBL12029187 0.89 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL12029225 0.86 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL12029232 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL12029234 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL12029120 0.84 ALDH1A1 (0.47) SMN1; SMN2BRAFALDH1A1ALOX15TSHR
SCHEMBL12029249 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL12029282 0.82 SMN1; SMN2 (0.48) SMN1; SMN2BRAFALDH1A1ALOX15TSHR
SCHEMBL12029227 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT

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 3331/4885BRAF 3247/4885ALDH1A1 1976/4885

“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