SCHEMBL14328328

SCHEMBL14328328

Bc1[nH]c(C(=O)NC[C@@H]2Cc3[nH]c(N)nc3C[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.48
▸ SCN3A Q9NY46 2/20 0.48
▸ KCNA2 P16389 1/20 0.41
▸ KCNA6 P17658 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ KCNA4 P22459 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ SCN4A P35499 1/20 0.40
▸ CBLB Q13191 2/20 0.38
▸ DAO P14920 1/20 0.36

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
SCHEMBL12598739 0.96 SCN9A (0.43) SCN9ASCN3AKCNA2KCNA6NT5E
SCHEMBL13803868 0.94 SCN9A (0.47) SCN9ASCN3AKCNA2KCNA6NT5E
SCHEMBL12852189 0.94 SCN9A (0.53) SCN9ASCN3AKCNA2KCNA6NT5E
SCHEMBL12559784 0.94 SCN9A (0.53) SCN9ASCN3AKCNA2KCNA6NT5E
SCHEMBL12852200 0.79 VIP (0.54) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL12597859 0.79 VIP (0.54) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL12559790 0.79 VIP (0.54) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL12855200 0.79 VIP (0.40) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL12855198 0.78 VIP (0.49) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL12597860 0.74 SCN9A (0.51) SCN9ASCN3ANT5E

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-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN (US) 2012-12-27 — — 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-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT SCN9A 1732/4885SCN3A 3664/4885KCNA2 2202/4885

“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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