SCHEMBL4425178

SCHEMBL4425178

CNC(=O)C(C)Oc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
SCN9A Q15858 1/20 0.56
PARP15 Q460N3 2/20 0.54
PARP10 Q53GL7 2/20 0.54
PARP14 Q460N5 1/20 0.54
KCNH2 Q12809 2/20 0.52
SCN3A Q9NY46 2/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.46
FFAR1 O14842 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4425184 1.00 MAOB (0.58) MAOBSCN9APARP15PARP10PARP14
SCHEMBL4429913 0.85 MAOB (0.55) MAOBSCN9APARP15PARP10PARP14
SCHEMBL4429916 0.85 MAOB (0.55) MAOBSCN9APARP15PARP10PARP14
SCHEMBL3289301 0.81 SCN9A (0.77) MAOBSCN9APARP15PARP10PARP14
SCHEMBL1069620 0.81 SCN9A (0.77) MAOBSCN9APARP15PARP10PARP14
SCHEMBL22874551 0.79 MAOB (0.59) MAOBSCN9APARP15PARP10PARP14
SCHEMBL4422092 0.79 MAOB (0.63) MAOBSCN9APARP15PARP10PARP14
SCHEMBL4425537 0.78 MAOB (0.60) MAOBSCN9APARP10MEN1KMT2A
SCHEMBL4425539 0.78 MAOB (0.60) MAOBSCN9APARP10MEN1KMT2A
SCHEMBL28884365 0.77 POLB (0.58) SCN9AGAAPOLBMAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 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 (1 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT MAOB 1/4885SCN9A 1816/4885PARP15 1234/4885

“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.