SCHEMBL1034526

SCHEMBL1034526

O=C(O)c1csc(NC(=O)c2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.49
CFTR P13569 2/20 0.48
RAB9A P51151 2/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
USP2 O75604 4/20 0.46
USP8 P40818 4/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MPL P40238 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMO O15229 2/20 0.44
LDHA P00338 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 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
SCHEMBL17772349 0.93 SIRT5 (0.45) SIRT5CFTRRAB9ACSNK2A2CSNK2B
SCHEMBL1031016 0.90 USP2 (0.56) SIRT5CFTRRAB9ACSNK2A2CSNK2B
SCHEMBL1032901 0.88 NPC1 (0.50) SIRT5CFTRRAB9ACSNK2A2CSNK2B
SCHEMBL1033833 0.87 RAB9A (0.50) RAB9ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL1034835 0.83 SIRT2 (0.51) RAB9AALDH1A1MAPTMPLMEN1
SCHEMBL1034332 0.83 SCN9A (0.49) SIRT5CFTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL1034065 0.82 RXFP1 (0.53) RAB9AMAPTMAPK1MEN1KMT2A
SCHEMBL1031635 0.81 ITGB3 (0.43) SIRT5CFTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL1035363 0.80 KMO (0.57) SIRT5CFTRALDH1A1MEN1KMT2A
SCHEMBL1034646 0.80 BCL2L1 (0.55) RAB9AUSP2USP8ALDH1A1MAPT

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 SIRT5 7/4885CFTR 2332/4885RAB9A 660/4885

“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.