SCHEMBL4422047

SCHEMBL4422047

CNC(=O)COc1ccc(OCc2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
MAOB P27338 3/20 0.54
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
SMPD1 P17405 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GPR34 Q9UPC5 1/20 0.50
ABCB1 P08183 1/20 0.50
HPGD P15428 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
UBE2N P61088 1/20 0.49
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL10154344 0.91 KMT2A (0.60) MAPTPOLBKMT2AGAAKDM4E
SCHEMBL4422065 0.82 MAOB (0.61) RAB9APOLBMAOBKMT2AGPR34
SCHEMBL4426846 0.82 MAOB (0.61) MAOBKMT2AGAAGPR34HPGD
SCHEMBL4422103 0.82 MEN1 (0.66) RAB9AMAPTMAOBKMT2AGAA
SCHEMBL29741480 0.79 MAOB (0.81) RAB9AMAOBSMPD1
SCHEMBL18664184 0.79 MAOB (0.81) RAB9AMAOBSMPD1
SCHEMBL4425536 0.79 RAB9A (0.55) RAB9AMAOBGAASMPD1ADAMTS4
SCHEMBL4425534 0.79 RAB9A (0.55) RAB9AMAOBGAASMPD1ADAMTS4
SCHEMBL19962767 0.78 RAB9A (0.70) RAB9AMAPTPOLBMAOBKMT2A
SCHEMBL20463317 0.78 ALDH1A1 (0.74) RAB9AMAPTMAOBSMPD1

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 8 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
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 RAB9A 1656/4885MAPT 182/4885POLB 317/4885

“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.