SCHEMBL4427972

SCHEMBL4427972

NC(=O)OCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.71
PARP10 Q53GL7 1/20 0.71
NR4A2 P43354 1/20 0.64
MAOA P21397 3/20 0.61
SCN9A Q15858 1/20 0.61

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
SCHEMBL29747227 0.88 HCAR2 (0.60) MAOBPARP10NR4A2
SCHEMBL6901937 0.88 HCAR2 (0.60) MAOBPARP10NR4A2
SCHEMBL4427394 0.88 MAOB (0.66) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4425874 0.84 MAOB (0.67) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL6634107 0.84 PARP10 (0.68) MAOBPARP10NR4A2MAOA
SCHEMBL3503549 0.83 MAOB (1.00) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4425043 0.83 MAOB (0.62) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL1534882 0.81 MAOB (0.67) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4423295 0.81 MAOB (0.71) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL992837 0.81 MAOB (1.00) MAOBPARP10NR4A2

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 1/4885PARP10 1329/4885NR4A2 1668/4885

“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.