SCHEMBL9980770

SCHEMBL9980770

O=C(O)c1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
PBRM1 Q86U86 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PIM1 P11309 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIN1 Q13526 1/20 0.44
MPL P40238 1/20 0.42
SCN2A Q99250 2/20 0.42
HDAC11 Q96DB2 1/20 0.42
PARP1 P09874 1/20 0.41
LDHA P00338 1/20 0.41
KMO O15229 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TRPM2 O94759 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 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
SCHEMBL12029085 0.86 GLA (0.43) MAPTKDM4EPIM1HDAC11
SCHEMBL465829 0.86 SCN2A (0.44) DHODHPIN1SCN2APARP1LDHA
SCHEMBL8809899 0.84 DHODH (0.62) DHODHPBRM1MAPTKDM4EPIM1
SCHEMBL12049289 0.81 KDM4E (0.45) MAPTKDM4EPIN1SCN2ALMNA
SCHEMBL12029393 0.81 RXFP1 (0.49) HDAC11
SCHEMBL465964 0.79 GRM5 (0.48) MAPTKDM4EHDAC11
SCHEMBL12048989 0.79 SCN2A (0.42) MAPTKDM4ESCN2APARP1LMNA
SCHEMBL12029406 0.79 DRD4 (0.42) MAPTPIM1HDAC11LMNA
SCHEMBL8807710 0.78 ALDH1A1 (0.54) MAPTKDM4EHPGD
SCHEMBL12029395 0.78 ALOX15 (0.55) PIM1SCN2AHDAC11

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 9 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-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
CN-102227420-B Quinazolinone, quinolone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2015-06-24 CN disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP 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
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 DHODH 1125/4885PBRM1 2941/4885MAPT 1270/4885

“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.