Sugi Predict

Sugi Predict / Compounds / SCHEMBL4339666

SCHEMBL4339666

SCHEMBL4339666

Nc1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 12/20 0.61
▸ IDO1 P14902 2/20 0.58
▸ AGXT P21549 2/20 0.58
▸ GSK3B P49841 2/20 0.56
▸ BACE1 P56817 2/20 0.56
▸ PPARA Q07869 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL20496736 0.89 MAOB (0.53) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL1283762 0.86 CACNA1C (0.59) MAOBGSK3BBACE1CACNA1CGAA
SCHEMBL7024898 0.84 MAOB (0.68) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL5921916 0.83 RAB9A (0.56) MAOBGSK3BBACE1CACNA1CGAA
SCHEMBL5095849 0.83 MAOB (0.55) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL13450401 0.82 MAOB (0.60) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL4333136 0.82 MAOB (0.53) MAOBCACNA1CGAAMAPTMAOA
SCHEMBL4639200 0.82 IDO1 (0.53) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL5514364 0.80 MAOB (0.62) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL5511238 0.80 MAOB (0.58) MAOBIDO1AGXTGSK3BBACE1

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 MAOB 1/4885IDO1 557/4885AGXT 637/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885IDO1 515/4885AGXT 735/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885IDO1 654/4885AGXT 1279/4885

“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.