SCHEMBL4427468

SCHEMBL4427468

NC(=O)[C@H](CO)NC(=O)c1ccc(OCc2ccc(F)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCN9A Q15858 2/20 0.41
RAB9A P51151 2/20 0.41
PPARG P37231 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
SMPD1 P17405 3/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL4429125 1.00 MAOB (0.44) MAOBPARP10MRGPRX4HDAC1HDAC8
SCHEMBL4424328 0.89 MRGPRX4 (0.53) MAOBMRGPRX4PPARG
SCHEMBL4422912 0.89 MRGPRX4 (0.53) MAOBMRGPRX4PPARG
SCHEMBL4422233 0.88 MRGPRX4 (0.49) MAOBPARP10MRGPRX4SCN9A
SCHEMBL4422239 0.88 MRGPRX4 (0.49) MAOBPARP10MRGPRX4SCN9A
SCHEMBL4423323 0.85 MAOB (0.45) MAOBPARP10HDAC1HDAC8HDAC6
SCHEMBL4423318 0.85 MAOB (0.45) MAOBPARP10HDAC1HDAC8HDAC6
SCHEMBL5811691 0.80 MAOB (0.44) MAOBPARP10HDAC1HDAC8HDAC6
SCHEMBL4427215 0.80 MAOB (0.46) MAOBPARP10HDAC1MEN1KMT2A
SCHEMBL3505057 0.80 MAOB (0.46) MAOBPARP10HDAC1MEN1KMT2A

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

“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.