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Sugi Predict / Compounds / SCHEMBL3366592

SCHEMBL3366592

SCHEMBL3366592

O=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ MGMT P16455 1/20 0.49
▸ HSPB1 P04792 3/20 0.49
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ S1PR4 O95977 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP19A1 P11511 5/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ CYP11B1 P15538 1/20 0.45

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
SCHEMBL30152254 1.00 MEN1 (0.51) MEN1KMT2AMAPTRAB9AMGMT
SCHEMBL371744 0.87 MEN1 (0.65) MEN1KMT2AMAPTHSPB1S1PR4
SCHEMBL30152359 0.87 MAPT (0.49) MEN1KMT2AMAPTMGMTEGFR
SCHEMBL29555766 0.87 EGFR (0.59) MEN1KMT2AMAPTRAB9AMGMT
SCHEMBL1406869 0.87 MRGPRX4 (0.54) MEN1KMT2AMAPTMGMTEGFR
SCHEMBL4031443 0.87 MEN1 (0.49) MEN1KMT2AMAPTMGMTEGFR
SCHEMBL141880 0.87 EGFR (0.59) MEN1KMT2AMAPTRAB9AMGMT
SCHEMBL143578 0.87 MAPT (0.49) MEN1KMT2AMAPTMGMTEGFR
SCHEMBL1406632 0.86 HTR1A (0.55) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL30152249 0.86 HTR1A (0.55) MEN1KMT2AMAPTRAB9AMAOA

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-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
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 — — US disclosed
CN-1681777-A Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2005-10-12 — — CN disclosed
CN-1656057-A N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2005-08-17 — — CN 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-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 — — 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
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 (5 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 MEN1 3661/4885KMT2A 309/4885MAPT 753/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MEN1 3927/4885KMT2A 363/4885MAPT 692/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MEN1 2773/4885KMT2A 462/4885MAPT 475/4885
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MEN1 4505/4885KMT2A 1205/4885MAPT 44/4885
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 606/4885MAPT 156/4885

“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.