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
SCHEMBL4426846 0.84 MAOB (0.61) MEN1KMT2AALDH1A1SMN1; SMN2MAOB
SCHEMBL4422065 0.84 MAOB (0.61) MEN1KMT2AALDH1A1RAB9ANPC1
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.

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