SCHEMBL3945849

SCHEMBL3945849

CNCc1ccc(NC(=O)c2cc3ccc(OC)c(OC)c3oc2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
MAPT P10636 1/20 0.59
MAOB P27338 4/20 0.54
MAOA P21397 3/20 0.54
CNR2 P34972 8/20 0.52
RXFP1 Q9HBX9 2/20 0.51
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4524105 0.92 TP53 (0.55) TP53MAPTMAOBMAOACNR2
SCHEMBL3882408 0.89 TP53 (0.63) TP53MAPTMAOBMAOACNR2
SCHEMBL3879592 0.88 TP53 (0.55) TP53MAPTMAOBMAOACNR2
SCHEMBL3950744 0.88 TP53 (0.57) TP53MAPTMAOBMAOACNR2
SCHEMBL3880309 0.87 TP53 (0.56) TP53MAPTMAOBMAOACNR2
SCHEMBL3883039 0.86 S1PR1 (0.64) TP53MAPTMAOBMAOACNR2
SCHEMBL3948536 0.85 S1PR1 (0.57) TP53MAPTMAOBMAOACNR2
SCHEMBL3879727 0.84 TP53 (0.55) TP53MAPTMAOBMAOACNR2
SCHEMBL3880551 0.83 MAPT (0.54) TP53MAPTMAOBMAOACNR2
SCHEMBL3882211 0.82 CNR2 (0.52) TP53MAPTMAOBMAOACNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP claimed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO claimed
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US 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 (2 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP TP53 3444/4885MAPT 51/4885MAOB 160/4885
US-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 TP53 487/4885MAPT 3872/4885MAOB 1375/4885

“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.