SCHEMBL4339919

SCHEMBL4339919

COC(=O)CC(=O)Nc1cc(F)c(OCc2cccc(F)c2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAOB P27338 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.43
SCN9A Q15858 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL4335036 0.87 MAOB (0.48) KDM4EGAAMAOBMAOASCN9A
SCHEMBL3649956 0.84 FFAR1 (0.48) MAOBMRGPRX4
SCHEMBL3508387 0.84 MAOB (0.59) MAOBMRGPRX4MAOASCN9ANR4A2
SCHEMBL4344257 0.80 MAOB (0.59) MAOBMRGPRX4MAOASCN9ANR4A2
SCHEMBL3505445 0.79 MRGPRX4 (0.54) MAOBMRGPRX4
SCHEMBL4333127 0.79 TSHR (0.51) RAB9A
SCHEMBL3506678 0.78 EGFR (0.59)
SCHEMBL3505091 0.78 MAOB (0.60) MAOBMRGPRX4RAB9AMAOASCN9A
SCHEMBL4348007 0.76 MAOB (0.49) MAOBMRGPRX4MAOASCN9ANR4A2
SCHEMBL4339807 0.76 EGFR (0.47)

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 KDM4E 312/4885GAA 283/4885MAOB 1/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 KDM4E 316/4885GAA 254/4885MAOB 1/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 KDM4E 142/4885GAA 801/4885MAOB 1/4885

“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.