SCHEMBL1030918

SCHEMBL1030918

O=C(Nc1cccnc1)c1cccc2ccc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.52
EGLN1 Q9GZT9 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGES O14684 1/20 0.48
CYP11B2 P19099 2/20 0.47
ATR Q13535 1/20 0.46
NOTUM Q6P988 1/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP11B1 P15538 1/20 0.44

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
SCHEMBL1034553 0.82 EPHX2 (0.54) EGLN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL1031934 0.82 EGLN1 (0.60) EGLN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL13187549 0.81 SGMS2 (0.47) SGMS2EGLN1NPC1RAB9APTGES
SCHEMBL1033965 0.81 CHRNB2 (0.52) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL1034904 0.81 CHRNB2 (0.55) PTGESATRTSHRMPL
SCHEMBL1032356 0.81 CSF1R (0.54) EGLN1MEN1KMT2ATSHRMAPT
SCHEMBL12673378 0.80 PARP1 (0.62) SGMS2ALDH1A1KDM4EMEN1HPGD
SCHEMBL1033862 0.79 CYP1A2 (0.49) NPC1RAB9AALDH1A1MEN1HPGD
SCHEMBL1034914 0.78 CYP11B2 (0.53) SGMS2EGLN1NPC1RAB9AALDH1A1
SCHEMBL1034675 0.78 ALDH1A1 (0.50) SGMS2NPC1RAB9AALDH1A1KDM4E

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 SGMS2 3632/4885EGLN1 546/4885NPC1 3386/4885

“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.