Sugi Predict

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SCHEMBL4337112

SCHEMBL4337112

O=[N+]([O-])c1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.58
▸ MAOB P27338 3/20 0.58
▸ GSK3B P49841 2/20 0.53
▸ BACE1 P56817 2/20 0.53
▸ LMNA P02545 1/20 0.49
▸ IDO1 P14902 2/20 0.46
▸ AGXT P21549 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPD P32754 1/20 0.45
▸ AOC3 Q16853 1/20 0.45
▸ PPARA Q07869 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
SCHEMBL26124874 0.86 ADAMTS4 (0.52) HSPB1MAOBLMNACA12CA1
SCHEMBL4337816 0.85 LMNA (0.51) HSPB1MAOBLMNACA12CA1
SCHEMBL1401653 0.82 SMN1; SMN2 (0.48) HSPB1MAOBLMNAMAPT
SCHEMBL31504334 0.82 MAOB (0.56) HSPB1MAOBLMNACA12CA1
SCHEMBL4337519 0.82 MAOB (0.56) HSPB1MAOBLMNACA12CA1
SCHEMBL30152301 0.82 ENPP2 (0.47) HSPB1MAOBLMNAMAPTHPD
SCHEMBL1578318 0.79 MAOB (0.51) HSPB1MAOBGSK3BBACE1LMNA
SCHEMBL1578614 0.78 CA12 (0.66) HSPB1MAOBLMNACA12CA1
SCHEMBL7024898 0.78 MAOB (0.68) MAOBGSK3BBACE1LMNAIDO1
SCHEMBL31634183 0.77 MAOB (0.61) MAOBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 — — EP disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 — — US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 — — US 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-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 (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 HSPB1 3428/4885MAOB 1/4885GSK3B 796/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 HSPB1 3213/4885MAOB 1/4885GSK3B 723/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 HSPB1 4253/4885MAOB 1/4885GSK3B 1216/4885

“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.