SCHEMBL4425971

SCHEMBL4425971

NC(=O)CNC(=O)c1ccc(OCc2cccc(F)c2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.58
SPHK2 Q9NRA0 1/20 0.54
MAOB P27338 2/20 0.53
PARP10 Q53GL7 1/20 0.53
NR4A2 P43354 2/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
GRM5 P41594 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5807943 0.89 MAOB (0.51) MRGPRX4SPHK2MAOBPARP10NR4A2
SCHEMBL4432869 0.87 MRGPRX4 (0.59) MRGPRX4SPHK2MAOBPARP10NR4A2
SCHEMBL4426264 0.87 SPHK2 (0.54) MRGPRX4SPHK2MAOBPARP10NR4A2
SCHEMBL5811161 0.85 MAOB (0.49) MRGPRX4MAOBPARP10NR4A2KDM4E
SCHEMBL4424330 0.83 MRGPRX4 (0.52) MRGPRX4MAOBPARP10NR4A2KDM4E
SCHEMBL4422210 0.81 MAOB (0.55) MRGPRX4MAOBPARP10GRM5
SCHEMBL4422205 0.81 MAOB (0.55) MRGPRX4MAOBPARP10GRM5
SCHEMBL4426798 0.81 MAOB (0.55) MRGPRX4MAOBPARP10GRM5
SCHEMBL4426258 0.81 MRGPRX4 (0.62) MRGPRX4SPHK2MAOB
SCHEMBL3505676 0.81 GRM5 (0.63) MRGPRX4SPHK2MAOBPARP10NR4A2

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 14 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
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-6951884-B2 Fluorobenzamides and uses thereof HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US 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
US-6951884-B2 Fluorobenzamides and uses thereof HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US 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.