SCHEMBL1033833

SCHEMBL1033833

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 4/20 0.50
HSP90AA1 P07900 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
KDR P35968 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
SCHEMBL1034526 0.87 SIRT5 (0.49) RAB9ANPC1KDM4EMAPTMAPK1
SCHEMBL1032901 0.86 NPC1 (0.50) RAB9ANPC1KDM4ELMNAHSD17B10
SCHEMBL17772349 0.85 SIRT5 (0.45) RAB9ANPC1KDM4EMAPTMAPK1
SCHEMBL12673386 0.84 PARP1 (0.54) RAB9ASMN1; SMN2NPC1HSP90AA1KDM4E
SCHEMBL1031016 0.82 USP2 (0.56) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL3608132 0.80 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2NPC1HSP90AA1KDM4E
SCHEMBL1034416 0.79 KMT2A (0.48) RAB9ASMN1; SMN2NPC1KDM4ETDP1
SCHEMBL1034840 0.79 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1KDM4ETDP1
SCHEMBL1031845 0.78 ALDH1A1 (0.45) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL1034835 0.78 SIRT2 (0.51) RAB9ASMN1; SMN2NPC1LMNAMAPT

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 660/4885SMN1; SMN2 2735/4885NPC1 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.