SCHEMBL4422233

SCHEMBL4422233

NC(=O)[C@H](CO)NC(=O)c1ccc(OCc2cccc(F)c2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
MAOB P27338 5/20 0.49
PARP10 Q53GL7 1/20 0.49
GRM5 P41594 2/20 0.48
NR4A2 P43354 1/20 0.45
MAOA P21397 1/20 0.44
SCN9A Q15858 1/20 0.44
PDE5A O76074 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
SCHEMBL4422239 1.00 MRGPRX4 (0.49) MRGPRX4MAOBPARP10GRM5NR4A2
SCHEMBL4427468 0.88 MAOB (0.44) MRGPRX4MAOBPARP10SCN9A
SCHEMBL4429125 0.88 MAOB (0.44) MRGPRX4MAOBPARP10SCN9A
SCHEMBL4426798 0.86 MAOB (0.55) MRGPRX4MAOBPARP10GRM5MAOA
SCHEMBL4422205 0.86 MAOB (0.55) MRGPRX4MAOBPARP10GRM5MAOA
SCHEMBL4422210 0.86 MAOB (0.55) MRGPRX4MAOBPARP10GRM5MAOA
SCHEMBL4424328 0.82 MRGPRX4 (0.53) MRGPRX4MAOB
SCHEMBL4422912 0.82 MRGPRX4 (0.53) MRGPRX4MAOB
SCHEMBL5811161 0.81 MAOB (0.49) MRGPRX4MAOBPARP10GRM5NR4A2
SCHEMBL4426993 0.81 MAOB (0.53) MAOBPARP10GRM5NR4A2MAOA

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 1009/4885MAOB 1/4885PARP10 1686/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MRGPRX4 1429/4885MAOB 1/4885PARP10 833/4885

“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.