SCHEMBL4334882

SCHEMBL4334882

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.54
KIF11 P52732 1/20 0.48
PPARA Q07869 3/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALOX5 P09917 1/20 0.43
MAOA P21397 3/20 0.42

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
SCHEMBL4340548 0.91 MAOB (0.45) MAOBKIF11MRGPRX4
SCHEMBL5617706 0.90 MAOB (0.55) MAOBKIF11PPARASPHK2SPHK1
SCHEMBL3504655 0.88 MAOB (0.54) MAOBPPARAMAOA
SCHEMBL4335013 0.88 MAOB (0.50) MAOBPPARASPHK2SPHK1PPARD
SCHEMBL4338672 0.84 MAOB (0.51) MAOBPPARASPHK2SPHK1PPARD
SCHEMBL4498749 0.82 MAOB (0.64) MAOBPPARA
SCHEMBL4339548 0.81 LTA4H (0.47) MAOBKIF11PPARAPPARDMRGPRX4
SCHEMBL4334912 0.81 MAOB (0.57) MAOBMAOA
SCHEMBL3503430 0.79 HIF1A (0.43) MAOBMRGPRX4
SCHEMBL4339933 0.77 MAOB (0.55) MAOBPPARAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US claimed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US claimed
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO 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
CN-1656057-A N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2005-08-17 CN 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 (4 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 1/4885KIF11 4690/4885PPARA 2845/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885KIF11 4540/4885PPARA 1635/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885KIF11 4639/4885PPARA 2492/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885KIF11 4389/4885PPARA 3484/4885

“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.