SCHEMBL1034793

SCHEMBL1034793

CN(C)c1cccc(C(=O)Nc2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 3/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
PTGS1 P23219 1/20 0.45
BRAF P15056 4/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PLG P00747 2/20 0.42
PLAU P00749 2/20 0.42
PLAT P00750 2/20 0.42
KCNJ11 Q14654 1/20 0.42
HDAC1 Q13547 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL1034276 0.85 THRB (0.58) ALDH1A1GAARXFP1MAPTKDM4E
SCHEMBL13626817 0.78 TP53 (0.48) ALDH1A1GAARXFP1MAPTPTGS1
SCHEMBL1033042 0.78 BRAF (0.49) BRAF
SCHEMBL1034693 0.78 TP53 (0.47) ALDH1A1GAARXFP1MAPTPTGS1
SCHEMBL1034692 0.78 TP53 (0.47) ALDH1A1GAARXFP1MAPTPTGS1
SCHEMBL1030750 0.77 RXFP1 (0.55) ALDH1A1GAARXFP1MAPTKDM4E
SCHEMBL17552192 0.77 GAA (0.64) ALDH1A1GAARXFP1MAPTPTGS1
SCHEMBL29911165 0.77 GAA (0.64) ALDH1A1GAARXFP1MAPTPTGS1
SCHEMBL1204210 0.77 MEN1 (0.51) HPGDMEN1NPC1RAB9AKMT2A
SCHEMBL17772299 0.77 KMO (0.46) ALDH1A1RXFP1MAPTHDAC1

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 ALDH1A1 2326/4885GAA 766/4885RXFP1 465/4885

“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.