SCHEMBL1035575

SCHEMBL1035575

O=C(Nc1cccc(OC[C@H](O)CO)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.44
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
KDR P35968 3/20 0.43
RET P07949 2/20 0.43
PDGFRB P09619 2/20 0.43
KIT P10721 2/20 0.43
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
P2RX1 P51575 1/20 0.40
PTGS1 P23219 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 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
SCHEMBL1032642 1.00 RXFP1 (0.44) RXFP1FLT1FLT4KDRRET
SCHEMBL1032643 1.00 RXFP1 (0.44) RXFP1FLT1FLT4KDRRET
SCHEMBL1032609 0.92 PLG (0.46) RXFP1FLT1FLT4KDRRET
SCHEMBL1034121 0.90 P2RX1 (0.43) MAPTP2RX1
SCHEMBL1034692 0.84 TP53 (0.47) RXFP1KITMAPTPTGS1PLG
SCHEMBL1034693 0.84 TP53 (0.47) RXFP1KITMAPTPTGS1PLG
SCHEMBL1035301 0.83 ABL1 (0.47)
SCHEMBL13627127 0.83 PLG (0.45) RXFP1FLT1FLT4KDRRET
SCHEMBL1726200 0.83 RAF1 (0.42) RXFP1MAPTPLGPLAUPLAT
SCHEMBL1419904 0.82 EPHB4 (0.47) RXFP1FLT1FLT4KDRPDGFRB

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 RXFP1 465/4885FLT1 1112/4885FLT4 1541/4885

“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.