SCHEMBL1033965

SCHEMBL1033965

O=C(Nc1ccccn1)c1cccc2ccc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
FGFR4 P22455 2/20 0.48
MAPKAPK2 P49137 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMO O15229 1/20 0.45
MPL P40238 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 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
SCHEMBL1034904 0.89 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4FGFR4
SCHEMBL1031023 0.83 FGFR4 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4FGFR4
SCHEMBL1033862 0.82 CYP1A2 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1030918 0.81 SGMS2 (0.52) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1033871 0.81 FGFR4 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4FGFR4
SCHEMBL1896561 0.79 PARP1 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL4547998 0.79 GRM5 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL1035228 0.79 KMO (0.54) MEN1KMT2AKDM4EKMOALDH1A1
SCHEMBL30417052 0.79 MEN1 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL27486980 0.79 MEN1 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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 CHRNB2 2379/4885CHRNB4 3068/4885CHRNA3 2140/4885

“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.