SCHEMBL4223286

SCHEMBL4223286

CC(C)Oc1ccc(-n2c(C(=O)NCCNC(=O)OC(C)(C)C)c(Cl)c3cc(Oc4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.44
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ SCN7A Q01118 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
Hydrochloric Acid SCHEMBL4233505 0.89 SCN9A (0.52) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL4233483 0.85 SCN9A (0.47) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL4916822 0.84 PPARG (0.47) SCN9A
SCHEMBL333599 0.77 LMNA (0.50) SCN9A
SCHEMBL4227684 0.77 PPARG (0.43) SCN9A
SCHEMBL5266287 0.77 SCN9A (0.45) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL333775 0.77 PPARG (0.48) SCN9A
SCHEMBL4228442 0.77 EGLN1 (0.43) SCN9A
SCHEMBL333600 0.76 LMNA (0.48) SCN9A
SCHEMBL4226245 0.76 PPARG (0.42) —

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-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 — — 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-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG SCN9A 4230/4885SCN10A 3815/4885SCN7A 4340/4885

“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.

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