SCHEMBL4422092

SCHEMBL4422092

CNC(=O)COc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.63
PARP15 Q460N3 2/20 0.59
PARP10 Q53GL7 2/20 0.59
PARP14 Q460N5 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNH2 Q12809 4/20 0.56
SCN3A Q9NY46 3/20 0.54
SCN9A Q15858 1/20 0.54
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
CDC25B P30305 1/20 0.51
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 1/20 0.50
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48

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
SCHEMBL4422103 0.79 MEN1 (0.66) MAOBMEN1KMT2APKMRECQL
SCHEMBL4425184 0.79 MAOB (0.58) MAOBPARP15PARP10PARP14MEN1
SCHEMBL4425178 0.79 MAOB (0.58) MAOBPARP15PARP10PARP14MEN1
SCHEMBL1444069 0.78 MAOB (0.74) MAOBPARP15PARP10PARP14MEN1
SCHEMBL8935313 0.78 SCN3A (0.53) MAOBPARP15PARP10PARP14KCNH2
SCHEMBL8260422 0.78 LMNA (0.61) MEN1KMT2APKMRECQLNPC1
SCHEMBL2858346 0.78 PKM (0.63) MEN1KMT2APKMRECQLNPC1
SCHEMBL2087950 0.78 MAOB (1.00) MAOBPARP15PARP10PARP14SCN3A
SCHEMBL21340511 0.77 MAOB (0.59) MAOBPARP15PARP10PARP14MEN1
SCHEMBL4429916 0.77 MAOB (0.55) MAOBPARP15PARP10PARP14MEN1

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 1/4885PARP15 1234/4885PARP10 1329/4885

“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.