SCHEMBL3365264

SCHEMBL3365264

Nc1ccc(OCc2ccc(F)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAOB P27338 6/20 0.59
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MGMT P16455 2/20 0.42
APP P05067 1/20 0.42
ELOVL1 Q9BW60 1/20 0.41
CXCR2 P25025 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MPO P05164 1/20 0.40

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
SCHEMBL11274684 0.85 MEN1 (0.58) MEN1KMT2AKDM4EMAOBELOVL1
SCHEMBL25382254 0.83 AGXT (0.46) MEN1KMT2AKDM4EMAOBAGXT
SCHEMBL18429631 0.83 APP (0.59) MEN1KMT2AKDM4EIDO1APP
SCHEMBL5652119 0.83 MAOB (0.47) MEN1KMT2AKDM4EMAOBIDO1
SCHEMBL11182657 0.83 NPC1 (0.47) MEN1KMT2AKDM4EMAOBIDO1
SCHEMBL21503592 0.83 MAOB (0.59) MAOBIDO1AGXTAPPELOVL1
SCHEMBL224083 0.82 MAOB (0.56) MEN1KMT2AKDM4EMAOBIDO1
SCHEMBL29561621 0.82 MAOB (0.56) MEN1KMT2AKDM4EMAOBIDO1
SCHEMBL30354929 0.82 MAOB (0.62) KMT2AKDM4EMAOBIDO1MPO
SCHEMBL5652023 0.82 MAOB (0.62) KMT2AKDM4EMAOBIDO1MPO

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP disclosed
CN-100503562-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2009-06-24 CN disclosed
CN-100400509-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide IDING HANS 2006-06-08 US disclosed
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US disclosed
CN-1681778-A Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
CN-1681777-A Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
EP-1542969-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US disclosed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed
WO-2004026827-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO 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 (2 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-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MEN1 4505/4885KMT2A 1205/4885KDM4E 31/4885
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide MAOA, MAOB, PNPO MEN1 3745/4885KMT2A 606/4885KDM4E 176/4885

“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.