SCHEMBL3128252

SCHEMBL3128252

CNC(=O)c1ccc2cc(Oc3c(Br)cc(N)cc3Br)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.53
PTPN1 P18031 1/20 0.46
BRAF P15056 2/20 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
SCHEMBL3141999 0.85 SCN9A (0.49) SCN9APTPN1BRAF
SCHEMBL3133764 0.83 THRA (0.54) SCN9APTPN1BRAF
SCHEMBL6954319 0.75 PTPN1 (0.53) SCN9APTPN1BRAF
SCHEMBL3131401 0.74 BRAF (0.35) BRAF
SCHEMBL13884087 0.71 BRAF (0.60) BRAF
SCHEMBL3133322 0.71 HDAC1 (0.37) SCN9A
SCHEMBL3133343 0.70 HSD17B14 (0.50) SCN9APTPN1
SCHEMBL16966644 0.70 SCN9A (1.00) SCN9A
SCHEMBL23761146 0.69 NCF1 (0.54) SCN9A
SCHEMBL5074426 0.68 CYP1A2 (0.44) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR SCN9A 3770/4885PTPN1 924/4885BRAF 800/4885

“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.