SCHEMBL1035541

SCHEMBL1035541

O=C(Nc1cccc2ccc(-c3ccccc3)nc12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
IGF2BP2 Q9Y6M1 1/20 0.48
TEK Q02763 1/20 0.47
ABL1 P00519 4/20 0.47
MCHR1 Q99705 1/20 0.46
HDAC1 Q13547 2/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1029916 0.94 HDAC1 (0.52) KAT6ATP53POLBIGF2BP2TEK
SCHEMBL1033271 0.89 ABL1 (0.47) TP53POLBTEKABL1MCHR1
SCHEMBL1076614 0.86 HDAC1 (0.51) IGF2BP2ABL1MCHR1HDAC1MEN1
SCHEMBL17552185 0.84 TP53 (0.67) KAT6ATP53POLBMCHR1MEN1
SCHEMBL29911228 0.84 TP53 (0.67) KAT6ATP53POLBMCHR1MEN1
SCHEMBL1035313 0.83 IRAK4 (0.47) TP53IGF2BP2HDAC1RAB9A
SCHEMBL17772337 0.82 KDR (0.53) TP53POLBKDRMEN1KMT2A
SCHEMBL1034276 0.80 THRB (0.58) TP53POLBMEN1KMT2ASIRT2
SCHEMBL1030376 0.80 IRAK4 (0.47) ABL1HDAC1MEN1KMT2AALDH1A1
SCHEMBL1033832 0.79 IRAK4 (0.47) ABL1HDAC1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KAT6A 434/4885TP53 557/4885POLB 986/4885

“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.