SCHEMBL4426258

SCHEMBL4426258

NC(=O)CNC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.62
SPHK2 Q9NRA0 1/20 0.53
MAOB P27338 2/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL3644946 0.89 MRGPRX4 (0.53) MRGPRX4MAOBPPARGPPARDRXRA
SCHEMBL4426264 0.89 SPHK2 (0.54) MRGPRX4SPHK2MAOB
SCHEMBL3504747 0.88 MRGPRX4 (0.63) MRGPRX4SPHK2MAOBPPARGPPARD
SCHEMBL5823687 0.85 MRGPRX4 (0.48) MRGPRX4MAOBPPARGPPARDRXRA
SCHEMBL4432652 0.84 MRGPRX4 (0.55) MRGPRX4SPHK2PPARGPPARDRXRA
SCHEMBL3505625 0.83 MRGPRX4 (0.74) MRGPRX4MAOBPPARGPPARDRXRA
SCHEMBL3504638 0.82 MRGPRX4 (0.52) MRGPRX4MAOBPPARGPPARDRXRA
SCHEMBL3504640 0.82 MRGPRX4 (0.52) MRGPRX4MAOBPPARGPPARDRXRA
SCHEMBL3506459 0.82 MRGPRX4 (0.52) MRGPRX4MAOBPPARGPPARDRXRA
SCHEMBL4424328 0.81 MRGPRX4 (0.53) MRGPRX4MAOBPPARGPPARDRXRA

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
EP-1515926-B1 FLUOROBENZAMIDES SUITABLE FOR THE TREATMENT OF ALZHEIMER'S DISEASE OR SENILE DEMENTIA HOFFMANN LA ROCHE (CH) 2009-04-08 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
CN-1274669-C Fluorobenzamides suitable for the treatment of alzheimer's disease or senile dementia HOFFMANN LA ROCHE (CH) 2006-09-13 CN claimed
CN-1659135-A Fluorobenzamides suitable for the treatment of alzheimer's disease or senile dementia HOFFMANN LA ROCHE (CH) 2005-08-24 CN claimed
EP-1515926-A2 FLUOROBENZAMIDES SUITABLE FOR THE TREATMENT OF ALZHEIMER'S DISEASE OR SENILE DEMENTIA F.HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP claimed
US-20030236304-A1 Fluorobenzamides and uses thereof F. HOFFMANN-LA ROCHE AG (CH) 2003-12-25 US claimed
WO-2003106380-A2 FLUOROBENZAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO claimed
EP-1515926-B1 FLUOROBENZAMIDES SUITABLE FOR THE TREATMENT OF ALZHEIMER'S DISEASE OR SENILE DEMENTIA HOFFMANN LA ROCHE (CH) 2009-04-08 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
CN-1274669-C Fluorobenzamides suitable for the treatment of alzheimer's disease or senile dementia HOFFMANN LA ROCHE (CH) 2006-09-13 CN disclosed
US-6951884-B2 Fluorobenzamides and uses thereof HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
CN-1659135-A Fluorobenzamides suitable for the treatment of alzheimer's disease or senile dementia HOFFMANN LA ROCHE (CH) 2005-08-24 CN disclosed
EP-1515926-A2 FLUOROBENZAMIDES SUITABLE FOR THE TREATMENT OF ALZHEIMER'S DISEASE OR SENILE DEMENTIA F.HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20030236304-A1 Fluorobenzamides and uses thereof F. HOFFMANN-LA ROCHE AG (CH) 2003-12-25 US disclosed
WO-2003106380-A2 FLUOROBENZAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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 (2 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-20030236304-A1 Fluorobenzamides and uses thereof MAOB, MAOA, BCHE MRGPRX4 1009/4885SPHK2 2586/4885MAOB 1/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MRGPRX4 1429/4885SPHK2 1941/4885MAOB 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.