SCHEMBL4340548

SCHEMBL4340548

NC(=O)CC(=O)Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
KIF11 P52732 1/20 0.43
NR4A2 P43354 2/20 0.40
IDO1 P14902 2/20 0.40
FFAR1 O14842 1/20 0.40
MAPK13 O15264 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRAF P15056 1/20 0.40
S1PR1 P21453 1/20 0.40
PRKX P51817 1/20 0.40
IKBKE Q14164 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HIF1A Q16665 1/20 0.40
CACNA1F O60840 1/20 0.40
TACR1 P25103 1/20 0.40
CACNA1D Q01668 1/20 0.40

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
SCHEMBL4334882 0.91 MAOB (0.54) MAOBMRGPRX4KIF11
SCHEMBL4339548 0.90 LTA4H (0.47) MAOBMRGPRX4KIF11NR4A2FFAR1
SCHEMBL3503430 0.88 HIF1A (0.43) MAOBMRGPRX4FFAR1MAPK13MAPK14
SCHEMBL4338587 0.84 MAPK14 (0.44) MAOBMRGPRX4FFAR1MAPK13MAPK14
SCHEMBL3504655 0.83 MAOB (0.54) MAOBNR4A2
SCHEMBL5617706 0.81 MAOB (0.55) MAOBMRGPRX4KIF11
SCHEMBL4334912 0.81 MAOB (0.57) MAOBNR4A2
SCHEMBL4335013 0.79 MAOB (0.50) MAOBMAPK13MAPK14
SCHEMBL3651957 0.77 PARP15 (0.43) MAOBMRGPRX4FFAR1MAPTHTT
SCHEMBL4428735 0.76 PARP15 (0.45) MAOBMRGPRX4MAPTHTTL3MBTL1

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 12 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
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
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

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 1/4885MRGPRX4 1690/4885KIF11 4690/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MRGPRX4 1429/4885KIF11 4540/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885MRGPRX4 1719/4885KIF11 4639/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885MRGPRX4 1058/4885KIF11 4389/4885

“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.