SCHEMBL6509727

SCHEMBL6509727

COC(=O)c1ccc(-n2c(C)cc(OCc3ccc(F)cc3F)cc2=O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.47
MAOB P27338 1/20 0.45
ROCK2 O75116 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
STRADA Q7RTN6 1/20 0.44
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL6471072 0.91 PTGER1 (0.47) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4376110 0.90 MAPK14 (0.50) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4382368 0.88 MAPK14 (0.56) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4379002 0.87 MAPK14 (0.49) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4383322 0.87 MAPK14 (0.58) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4384407 0.85 MAPK14 (0.58) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4383567 0.85 MAPK14 (0.60) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL13602834 0.84 MAPK14 (0.55) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4378989 0.83 MAPK14 (0.46) MAPK14MAOB
SCHEMBL4374045 0.81 MAPK14 (0.57) MAPK14MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 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 (1 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-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAOB 560/4885ROCK2 983/4885

“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.