SCHEMBL3033748

SCHEMBL3033748

Cc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.34
SCN9A Q15858 2/20 0.32
PARP1 P09874 1/20 0.31
PARG Q86W56 1/20 0.31

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
SCHEMBL3030935 0.80 SCN9A (0.34) SCN9A
SCHEMBL3024288 0.80 SLC22A12 (0.38) EPAS1SCN9A
SCHEMBL3031283 0.75 EPAS1 (0.33) EPAS1SCN9A
SCHEMBL2880917 0.74 TSHR (0.32)
SCHEMBL13581458 0.73 CYP3A4 (0.34) SCN9A
SCHEMBL23753899 0.70 MAPT (0.37) SCN9A
SCHEMBL13982360 0.70 MEN1 (0.39) EPAS1SCN9A
SCHEMBL3030019 0.67 RHEB (0.45) SCN9A
SCHEMBL2340708 0.67 ALDH1A1 (0.42) SCN9A
SCHEMBL2884549 0.67 ALDH1A1 (0.37) EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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 (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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 EPAS1 3652/4885SCN9A 4777/4885PARP1 411/4885

“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.