SCHEMBL1034692

SCHEMBL1034692

O=C(Nc1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12)c1cccc(OC[C@@H](O)CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.43
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 3/20 0.41
GPR52 Q9Y2T5 1/20 0.41
PTGS1 P23219 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLG P00747 2/20 0.40
PLAU P00749 2/20 0.40
PLAT P00750 2/20 0.40
HDAC1 Q13547 1/20 0.40
CSF1R P07333 1/20 0.39
KIT P10721 1/20 0.39
BRAF P15056 3/20 0.39
SCN5A Q14524 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
SCHEMBL1034693 1.00 TP53 (0.47) TP53POLBALDH1A1THRBGAA
SCHEMBL13626817 0.92 TP53 (0.48) TP53POLBALDH1A1THRBGAA
SCHEMBL1035268 0.86 GPR52 (0.44) ALDH1A1GAAGPR52HDAC1BRAF
SCHEMBL1035266 0.86 GPR52 (0.44) ALDH1A1GAAGPR52HDAC1BRAF
SCHEMBL1034276 0.85 THRB (0.58) TP53POLBALDH1A1THRBGAA
SCHEMBL1032643 0.84 RXFP1 (0.44) RXFP1PTGS1PLGPLAUPLAT
SCHEMBL1035575 0.84 RXFP1 (0.44) RXFP1PTGS1PLGPLAUPLAT
SCHEMBL1032642 0.84 RXFP1 (0.44) RXFP1PTGS1PLGPLAUPLAT
SCHEMBL1032609 0.81 PLG (0.46) RXFP1PLGPLAUPLATKIT
SCHEMBL1034348 0.80 EPHX2 (0.52) TP53POLBGAARXFP1HDAC1

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 7 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

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 TP53 557/4885POLB 986/4885ALDH1A1 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.