Sugi Predict

Sugi Predict / Compounds / SCHEMBL3365225

SCHEMBL3365225

SCHEMBL3365225

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.68
▸ MAOB P27338 1/20 0.68
▸ APP P05067 1/20 0.64
▸ MAPT P10636 3/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ FBP1 P09467 2/20 0.62
▸ HSPB1 P04792 1/20 0.60
▸ PTGS2 P35354 6/20 0.59
▸ PTGS1 P23219 2/20 0.59
▸ CYP19A1 P11511 2/20 0.59
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.50
▸ GPR183 P32249 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
SCHEMBL3365228 1.00 MAOA (0.68) MAOAMAOBAPPMAPTRAB9A
SCHEMBL14947048 0.89 APP (0.78) MAOBAPPMAPTRAB9ANPC1
SCHEMBL458178 0.89 APP (0.78) MAOBAPPMAPTRAB9ANPC1
SCHEMBL458177 0.89 APP (0.78) MAOBAPPMAPTRAB9ANPC1
SCHEMBL9170800 0.89 APP (0.78) MAOBAPPMAPTRAB9ANPC1
SCHEMBL9170804 0.89 APP (0.78) MAOBAPPMAPTRAB9ANPC1
SCHEMBL14880657 0.88 HSPB1 (0.60) MAOAMAOBAPPMAPTRAB9A
SCHEMBL536 0.87 HSPB1 (0.75) MAOAMAOBMAPTHSPB1HTT
SCHEMBL7026994 0.87 HSPB1 (0.75) MAOAMAOBMAPTHSPB1HTT
Fluoride SCHEMBL4551986 0.84 HSPB1 (0.72) MAOAMAOBMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230309370-A1 Photomechanical Polymers, Compositions, and Methods The Florida State University Research Foundation, Inc. 2023-09-28 — — US 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-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
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 — — US 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
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-4963633-A Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1990-10-16 — — US disclosed
US-4929696-A Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1990-05-29 — — US disclosed
US-4922003-A Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1990-05-01 — — 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
EP-0321891-A2 Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-06-28 — — EP 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOA 2/4885MAOB 1/4885APP 289/4885
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 MAOA 1/4885MAOB 2/4885APP 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.