SCHEMBL1032609

SCHEMBL1032609

O=C(Nc1ccc(OCC(O)CO)cc1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.46
PLAU P00749 2/20 0.46
PLAT P00750 2/20 0.46
EGLN1 Q9GZT9 1/20 0.43
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
RET P07949 2/20 0.41
PDGFRB P09619 2/20 0.41
KIT P10721 2/20 0.41
RXFP1 Q9HBX9 3/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
SCN9A Q15858 1/20 0.40
ABL1 P00519 3/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL1032643 0.92 RXFP1 (0.44) PLGPLAUPLATCA2CA9
SCHEMBL1032642 0.92 RXFP1 (0.44) PLGPLAUPLATCA2CA9
SCHEMBL1035575 0.92 RXFP1 (0.44) PLGPLAUPLATCA2CA9
SCHEMBL13627127 0.91 PLG (0.45) PLGPLAUPLATEGLN1CA2
SCHEMBL17772307 0.89 PLG (0.44) PLGPLAUPLATEGLN1CA2
SCHEMBL1035301 0.89 ABL1 (0.47) ABL1
SCHEMBL13187587 0.83 PLG (0.46) PLGPLAUPLATEGLN1KDR
SCHEMBL1034121 0.82 P2RX1 (0.43) ABL1
SCHEMBL1034065 0.81 RXFP1 (0.53) CA2CA9CA12CA1RXFP1
SCHEMBL1034692 0.81 TP53 (0.47) PLGPLAUPLATKITRXFP1

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 PLG 1627/4885PLAU 4007/4885PLAT 1977/4885

“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.