SCHEMBL4338672

SCHEMBL4338672

CC(=O)NCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAPK13 O15264 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAOA P21397 1/20 0.43
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 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
SCHEMBL4338587 0.92 MAPK14 (0.44) MAOBMAPK13MAPK14PPARAPPARD
SCHEMBL3502880 0.89 MAOB (0.57) MAOBMAPK13MAPK14MAOA
SCHEMBL4335013 0.85 MAOB (0.50) MAOBMAPK13MAPK14PPARAPPARD
SCHEMBL5617706 0.84 MAOB (0.55) MAOBMAOAPPARAPPARDSPHK2
SCHEMBL4334882 0.84 MAOB (0.54) MAOBMAOAPPARAPPARDSPHK2
SCHEMBL3504550 0.82 MAOB (0.60) MAOBMAOA
SCHEMBL4346816 0.78 MAOB (0.49) MAOBMAPK13MAPK14MAOA
SCHEMBL3503430 0.76 HIF1A (0.43) MAOBMAPK13MAPK14
SCHEMBL27601162 0.76 MAOB (0.45) MAOBMAPK13MAPK14PPARASPHK2
SCHEMBL4339548 0.76 LTA4H (0.47) MAOBPPARAPPARD

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-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 US disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 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 (3 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885MAPK13 3021/4885MAPK14 2155/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885MAPK13 2868/4885MAPK14 1846/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885MAPK13 2516/4885MAPK14 2297/4885

“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.