SCHEMBL4335036

SCHEMBL4335036

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
PARP10 Q53GL7 1/20 0.48
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
NR4A2 P43354 2/20 0.43
MAOA P21397 1/20 0.43
SCN9A Q15858 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPIA P62937 1/20 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
SCHEMBL4339919 0.87 KDM4E (0.45) MAOBKDM4EGAANR4A2MAOA
SCHEMBL3504711 0.84 EGFR (0.49) MAOBPARP10SGMS2LMNAL3MBTL1
SCHEMBL4334912 0.84 MAOB (0.57) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL3504909 0.79 MAOB (0.57) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL3505411 0.77 EGFR (0.62)
SCHEMBL3504576 0.77 MRGPRX4 (0.54) MAOBPARP10KDM4EGAAMAOA
SCHEMBL3504082 0.77 MAOB (0.64) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4337607 0.76 TSHR (0.53) LMNA
SCHEMBL3367483 0.73 MAOB (0.56) MAOBPARP10IDO1AGXTNR4A2
SCHEMBL30792224 0.73 MAOB (0.56) MAOBPARP10IDO1AGXTNR4A2

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 1/4885PARP10 2121/4885KDM4E 312/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885PARP10 833/4885KDM4E 306/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885PARP10 1982/4885KDM4E 316/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885PARP10 1696/4885KDM4E 142/4885

“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.