SCHEMBL1035313

SCHEMBL1035313

O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
HDAC1 Q13547 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DHODH Q02127 5/20 0.43
FGFR4 P22455 1/20 0.43
TRPV3 Q8NET8 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.41
HTT P42858 1/20 0.41
LCLAT1 Q6UWP7 1/20 0.41
TP53 P04637 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
SCHEMBL1029916 0.87 HDAC1 (0.52) IRAK4HDAC1DHODHIGF2BP2TP53
SCHEMBL1076614 0.85 HDAC1 (0.51) IRAK4HDAC1NPC1RAB9ADHODH
SCHEMBL1033271 0.84 ABL1 (0.47) IRAK4HDAC1TDP1NPC1RAB9A
SCHEMBL1033187 0.83 ABL1 (0.47) IRAK4DHODHGAAHTTLCLAT1
SCHEMBL1035541 0.83 KAT6A (0.48) HDAC1RAB9AIGF2BP2TP53
SCHEMBL1030376 0.81 IRAK4 (0.47) IRAK4HDAC1NPC1RAB9ADHODH
SCHEMBL1033832 0.80 IRAK4 (0.47) IRAK4HDAC1DHODHHTT
SCHEMBL1029914 0.80 NPC1 (0.52) IRAK4HDAC1L3MBTL1NPC1RAB9A
SCHEMBL1036232 0.80 SIRT2 (0.50) IRAK4L3MBTL1NPC1RAB9ADHODH
SCHEMBL1032167 0.79 MEN1 (0.48) NPC1RAB9AMAPTTP53

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 IRAK4 2770/4885HDAC1 87/4885TDP1 762/4885

“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.