SCHEMBL12029218

SCHEMBL12029218

Cn1c(-c2ccccc2OC(F)(F)F)nc2c(NC(=O)c3cnccn3)cccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 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
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 2/20 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
SCHEMBL12029287 0.88 GAA (0.52) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029187 0.86 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029293 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029120 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029305 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029232 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029226 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029234 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029186 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL12029243 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TSHRALOX15L3MBTL1

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 1976/4885TSHR 3318/4885

“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