SCHEMBL4422065

SCHEMBL4422065

CNC(=O)COc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
MAOA P21397 2/20 0.61
NR4A2 P43354 1/20 0.59
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GPR34 Q9UPC5 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53
APP P05067 1/20 0.53
ATF4 P18848 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7492782 0.91 KMT2A (0.62) POLBNPC1RAB9AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL27734857 0.89 KMT2A (0.60) POLBNPC1RAB9AMEN1ALDH1A1
SCHEMBL27719104 0.86 L3MBTL1 (0.57) POLBNPC1RAB9AMEN1ALDH1A1
SCHEMBL4426846 0.85 MAOB (0.61) MAOBMAOANR4A2GPR34MEN1
SCHEMBL4422103 0.84 MEN1 (0.66) MAOBNR4A2NPC1RAB9AMEN1
SCHEMBL23605967 0.83 PTGS2 (0.68) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL4422047 0.82 RAB9A (0.60) MAOBPOLBRAB9AGPR34MEN1
SCHEMBL29138719 0.82 KMT2A (0.60) POLBNPC1RAB9AMEN1ALDH1A1
SCHEMBL14491896 0.81 KMT2A (0.50) POLBMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL24806566 0.81 NR4A2 (0.71) MAOBMAOANR4A2APP

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 10 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 claimed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US claimed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 US claimed
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 1/4885MAOA 2/4885NR4A2 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.