SCHEMBL1034332

SCHEMBL1034332

O=C(Nc1nncs1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
CFTR P13569 2/20 0.41
AR P10275 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
FGFR4 P22455 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
NR3C1 P04150 2/20 0.41
KMO O15229 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
SCHEMBL1034835 0.84 SIRT2 (0.51) SCN9AALDH1A1HPGDKMOMAPT
SCHEMBL1034840 0.83 SMN1; SMN2 (0.59) TSHRALDH1A1HSD17B10HPGDAR
SCHEMBL1032901 0.83 NPC1 (0.50) ALDH1A1HSD17B10MAPK1HPGDL3MBTL1
SCHEMBL1031016 0.83 USP2 (0.56) MAPK1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL17772349 0.83 SIRT5 (0.45) ALDH1A1MAPK1CSNK2A2CSNK2BCSNK2A1
SCHEMBL1034526 0.83 SIRT5 (0.49) ALDH1A1MAPK1CSNK2A2CSNK2BCSNK2A1
SCHEMBL1074924 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDARHTT
SCHEMBL1075622 0.83 AQP4 (0.57) TSHRALDH1A1HSD17B10MAPK1HPGD
SCHEMBL1034646 0.82 BCL2L1 (0.55) ALDH1A1HPGDL3MBTL1HTTCNR1
SCHEMBL1034416 0.82 KMT2A (0.48) ALDH1A1HSD17B10HPGDCSNK2A2CSNK2B

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 SCN9A 3526/4885TSHR 2809/4885ALDH1A1 2326/4885

“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.