Sugi Predict

Sugi Predict / Compounds / SCHEMBL3366102

SCHEMBL3366102

SCHEMBL3366102

O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.68
▸ MAOA P21397 2/20 0.68
▸ APP P05067 1/20 0.64
▸ NPC1 O15118 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ FBP1 P09467 3/20 0.62
▸ PTGS2 P35354 6/20 0.59
▸ PTGS1 P23219 2/20 0.59
▸ CYP19A1 P11511 2/20 0.59
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL3366106 1.00 MAOB (0.68) MAOBMAOAAPPNPC1MAPT
SCHEMBL8618370 1.00 MAOB (0.68) MAOBMAOAAPPNPC1MAPT
SCHEMBL458177 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL458178 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL14947048 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL9170800 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL9170804 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL14880514 0.88 MAOB (0.58) MAOBMAOAAPPNPC1MAPT
SCHEMBL2724772 0.87 CYP1A2 (0.67) MAOBMAOANPC1MAPTRAB9A
SCHEMBL28180410 0.87 CYP1A2 (0.67) MAOBMAOANPC1MAPTRAB9A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573477-A Resveratrol imine analogue and preparation method and application thereof 西安医学院 2022-06-03 — — CN claimed
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 — — US claimed
CN-114573477-A Resveratrol imine analogue and preparation method and application thereof 西安医学院 2022-06-03 — — CN 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
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 — — US disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 — — US disclosed
US-20060189788-A1 Cyclic ether copolymer, coating resin composition, optical devices, and process for production of the devices DAIKIN INDUSTRIES, LTD. (JP) 2006-08-24 — — 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-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 — — US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 — — EP 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
EP-0632017-B1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-05-06 — — EP disclosed
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 — — US disclosed
EP-0632017-A1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-01-04 — — EP disclosed
US-4966730-A CAPABILITY OF SECOND HARMONIC GENERATION USING ELECTROOPTICAL MODULAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-30 — — US disclosed
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 — — 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 (3 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 MAOB 1/4885MAOA 2/4885APP 289/4885
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885APP 14/4885
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 MAOB 2/4885MAOA 1/4885APP 33/4885

“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.