SCHEMBL1033271

SCHEMBL1033271

O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.47
HDAC1 Q13547 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 4/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL1076614 0.91 HDAC1 (0.51) ABL1HDAC1IRAK4KDM4ENPC1
SCHEMBL1029916 0.91 HDAC1 (0.52) ABL1HDAC1IRAK4POLBTP53
SCHEMBL1035541 0.89 KAT6A (0.48) ABL1HDAC1RAB9APOLBTP53
SCHEMBL1035313 0.84 IRAK4 (0.47) HDAC1IRAK4NPC1RAB9ATP53
SCHEMBL1033832 0.80 IRAK4 (0.47) ABL1HDAC1IRAK4SMN1; SMN2
SCHEMBL1029914 0.80 NPC1 (0.52) ABL1HDAC1IRAK4NPC1RAB9A
SCHEMBL17552185 0.79 TP53 (0.67) NPC1RAB9APOLBTP53MEN1
SCHEMBL29911228 0.79 TP53 (0.67) NPC1RAB9APOLBTP53MEN1
SCHEMBL1030376 0.79 IRAK4 (0.47) ABL1HDAC1IRAK4KDM4ENPC1
SCHEMBL1034276 0.78 THRB (0.58) KDM4ENPC1RAB9APOLBTP53

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 ABL1 3468/4885HDAC1 87/4885IRAK4 2770/4885

“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.