SCHEMBL1035371

SCHEMBL1035371

O=C(Nc1cccc2ccc(-c3ccc(F)c(C(F)(F)F)c3)nc12)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
MPL P40238 6/20 0.46
KMO O15229 1/20 0.45
SCN5A Q14524 4/20 0.44
SCN9A Q15858 4/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SUCNR1 Q9BXA5 4/20 0.42
KDR P35968 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1034612 0.92 KDR (0.48) RAB9AMPLKMOSCN5ASCN9A
SCHEMBL1033373 0.85 GRM4 (0.57) KMOSCN5ASCN9AKMT2ASUCNR1
SCHEMBL1032970 0.85 SMN1; SMN2 (0.48) RAB9AMPLKMOSCN5ASCN9A
SCHEMBL1031581 0.82 RXFP1 (0.48) RAB9ASCN5ASCN9ARXFP1TP53
SCHEMBL1036195 0.81 KMO (0.42) RAB9AMPLKMOKMT2ANPSR1
SCHEMBL1035141 0.73 KDR (0.48) RAB9ARXFP1TP53KMT2AKDR
SCHEMBL1035586 0.73 VNN1 (0.48) KMT2ANPSR1HSD17B10SUCNR1
SCHEMBL1036270 0.72 MPL (0.53) MPLKMOSUCNR1
SCHEMBL1076614 0.72 HDAC1 (0.51) RAB9AMPLKMT2A
SCHEMBL1011789 0.72 RXFP1 (0.69) RAB9ARXFP1KMT2A

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 RAB9A 660/4885MPL 1771/4885KMO 256/4885

“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.