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SCHEMBL3365445

SCHEMBL3365445

O=[N+]([O-])c1ccc(C=Cc2cccc(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.73
▸ FBP1 P09467 3/20 0.63
▸ NFE2L2 Q16236 9/20 0.62
▸ PTGS2 P35354 3/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ APP P05067 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ NQO2 P16083 1/20 0.51
▸ VCP P55072 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50

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
SCHEMBL3365440 1.00 CYP19A1 (0.73) CYP19A1FBP1NFE2L2PTGS2PTGS1
SCHEMBL30152273 0.83 NFE2L2 (0.65) CYP19A1FBP1NFE2L2NPC1MAPT
SCHEMBL3365225 0.82 MAOA (0.68) CYP19A1FBP1NFE2L2PTGS2PTGS1
SCHEMBL3365228 0.82 MAOA (0.68) CYP19A1FBP1NFE2L2PTGS2PTGS1
SCHEMBL9849735 0.82 NFE2L2 (0.91) FBP1NFE2L2PTGS2PTGS1NPC1
SCHEMBL9785917 0.81 CYP19A1 (0.75) CYP19A1FBP1NFE2L2PTGS2PTGS1
SCHEMBL9785918 0.81 CYP19A1 (0.75) CYP19A1FBP1NFE2L2PTGS2PTGS1
SCHEMBL11301072 0.80 CYP19A1 (0.93) CYP19A1FBP1NFE2L2NPC1MAPT
SCHEMBL11301074 0.80 CYP19A1 (0.93) CYP19A1FBP1NFE2L2NPC1MAPT
SCHEMBL3368036 0.80 CYP19A1 (0.73) CYP19A1FBP1NFE2L2PTGS2PTGS1

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 26 patents — showing the first 20. 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
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 — — EP disclosed
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 — — CN disclosed
CN-100400509-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-07-09 — — CN 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-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 — — US disclosed
EP-1542969-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 — — EP disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 — — EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 — — US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 — — US 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
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 — — US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 — — 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 (4 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 CYP19A1 176/4885FBP1 2997/4885NFE2L2 878/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 CYP19A1 215/4885FBP1 3097/4885NFE2L2 1021/4885
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT CYP19A1 280/4885FBP1 2289/4885NFE2L2 857/4885
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 CYP19A1 291/4885FBP1 1468/4885NFE2L2 1389/4885

“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.