SCHEMBL1032595

SCHEMBL1032595

O=C(Nc1cccc(N2CCCC2)n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.45
CNR1 P21554 12/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.43
KIF18A Q8NI77 1/20 0.42
FGFR4 P22455 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 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
SCHEMBL1075398 0.92 CNR2 (0.52) KIF18ANPC1RAB9ACNR2KDM4E
SCHEMBL1032362 0.85 MEN1 (0.54) SCN10ACNR1MEN1KMT2ANPC1
SCHEMBL1035601 0.85 FGFR4 (0.41) SCN10AMEN1KMT2AFGFR4MAPKAPK2
SCHEMBL1031638 0.83 ALDH1A1 (0.47) CNR1FGFR4MAPKAPK2CNR2
SCHEMBL4548012 0.82 SCN10A (0.44) SCN10ACNR1MEN1KMT2AKIF18A
SCHEMBL13187927 0.82 KDM4E (0.44) SCN10ACNR1MEN1KMT2AFAAH
SCHEMBL1033871 0.81 FGFR4 (0.51) MEN1KMT2AFGFR4MAPKAPK2NPC1
SCHEMBL1033391 0.80 SIRT2 (0.50) CNR1KMT2AFGFR4MAPKAPK2CNR2
SCHEMBL1031261 0.79 FGFR4 (0.49) FGFR4MAPKAPK2CNR2
SCHEMBL1033836 0.79 CNR2 (0.47) CNR1RAB9ACNR2

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 SCN10A 2233/4885CNR1 1971/4885MEN1 2841/4885

“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.