SCHEMBL4422103

SCHEMBL4422103

CNC(=O)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 4/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
MAOB P27338 1/20 0.59
PLA2G4B P0C869 1/20 0.59
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
PKM P14618 1/20 0.58
RECQL P46063 1/20 0.58
LTA4H P09960 1/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL2858346 0.86 PKM (0.63) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL5928771 0.86 ALOX5 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL31710312 0.86 KMT2A (0.60) MEN1KMT2AMAPTKDM4EMAOB
Hydrochloric Acid SCHEMBL10955756 0.84 PKM (0.61) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4422065 0.84 MAOB (0.61) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4426846 0.84 MAOB (0.61) MEN1KMT2AALDH1A1SMN1; SMN2MAOB
SCHEMBL27536631 0.83 CYP1A2 (0.64) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4428763 0.83 MAOB (0.65) MAOBNR4A2
SCHEMBL810045 0.82 RAB9A (0.63) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4422047 0.82 RAB9A (0.60) MEN1KMT2AMAPTKDM4ERAB9A

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 9 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
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 MEN1 1578/4885KMT2A 703/4885MAPT 182/4885

“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.