SCHEMBL12855198

SCHEMBL12855198

Bc1c[nH]c(C(=O)NC[C@@H]2Cc3nc(N)[nH]c3C[C@H]2CNC(=O)c2cc(Br)c[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VIP P01282 2/20 0.49
▸ SCN9A Q15858 4/20 0.48
▸ SCN3A Q9NY46 4/20 0.48
▸ KCNA6 P17658 1/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ KCNA4 P22459 1/20 0.42
▸ KCNA5 P22460 1/20 0.42
▸ SCN5A Q14524 1/20 0.39
▸ CBLB Q13191 4/20 0.39
▸ PKM P14618 1/20 0.37
▸ DAO P14920 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ SCN4A P35499 1/20 0.32
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL12559790 0.94 VIP (0.54) VIPSCN9ASCN3AKCNA6KCNA3
SCHEMBL12597859 0.94 VIP (0.54) VIPSCN9ASCN3AKCNA6KCNA3
SCHEMBL12855200 0.94 VIP (0.40) VIPSCN9ASCN3AKCNA6KCNA3
SCHEMBL12852200 0.94 VIP (0.54) VIPSCN9ASCN3AKCNA6KCNA3
SCHEMBL12598740 0.84 VIP (0.45) VIPSCN9ASCN3AKCNA6KCNA3
SCHEMBL12598739 0.81 SCN9A (0.43) VIPSCN9ASCN3AKCNA6KCNA3
SCHEMBL12852189 0.79 SCN9A (0.53) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL12559784 0.79 SCN9A (0.53) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL14328328 0.78 SCN9A (0.48) SCN9ASCN3AKCNA6KCNA3KCNA4
SCHEMBL13803868 0.76 SCN9A (0.47) SCN9ASCN3AKCNA6KCNA3KCNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278340-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 — — US disclosed
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 — — 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-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT VIP 394/4885SCN9A 1732/4885SCN3A 3664/4885

“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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