SCHEMBL4380683

SCHEMBL4380683

[O-][n+]1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
GSK3B P49841 2/20 0.50
BACE1 P56817 2/20 0.50
ALKBH1 Q13686 1/20 0.43
PPARA Q07869 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PDE4A P27815 1/20 0.38
GRM5 P41594 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL18154525 0.80 MAOB (0.57) MAOBIDO1ALDH1A1SMN1; SMN2
SCHEMBL13450401 0.80 MAOB (0.60) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL7024898 0.78 MAOB (0.68) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL3216377 0.77 MAOB (0.57) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL6473294 0.77 MAOB (0.57) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL4339666 0.77 MAOB (0.61) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL10104014 0.76 MAOB (0.58) MAOBPDE4A
SCHEMBL5511238 0.74 MAOB (0.58) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL4886506 0.74 MAOB (0.58) MAOBIDO1AGXTGSK3BBACE1
SCHEMBL5514364 0.74 MAOB (0.62) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 CN disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 CN disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 CN disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAOB 743/4885IDO1 1657/4885AGXT 2941/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAOB 560/4885IDO1 1267/4885AGXT 2620/4885

“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.