SCHEMBL15844455

SCHEMBL15844455

CNC(CC(C)C)C(=O)NC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.52
▸ CACNA1B Q00975 8/20 0.42
▸ TP53 P04637 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15844454 1.00 SCN9A (0.52) SCN9ACACNA1BTP53CNR2CTSL
SCHEMBL20088469 0.96 SCN9A (0.49) SCN9ACACNA1BTP53CNR2CTSL
SCHEMBL15844874 0.88 SCN9A (0.42) SCN9ATP53CNR2CTSLFPR2
SCHEMBL15844873 0.88 SCN9A (0.42) SCN9ATP53CNR2CTSLFPR2
SCHEMBL20088467 0.86 SCN9A (0.40) SCN9ATP53CNR2CTSLFPR2
SCHEMBL15843982 0.82 SCN9A (0.58) SCN9ACACNA1BALDH1A1
SCHEMBL15843983 0.82 SCN9A (0.58) SCN9ACACNA1BALDH1A1
SCHEMBL20088465 0.80 SCN9A (0.54) SCN9ACACNA1BMAPTALDH1A1
SCHEMBL15844420 0.80 SCN9A (0.57) SCN9ACACNA1B
SCHEMBL15843891 0.80 SCN9A (0.57) SCN9ACACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 — — US disclosed
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 — — US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 — — US disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 — — US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 — — 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 (5 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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 SCN9A 50/4885CACNA1B 17/4885TP53 4692/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885CACNA1B 25/4885TP53 4747/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885CACNA1B 25/4885TP53 4747/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 50/4885CACNA1B 17/4885TP53 4692/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 SCN9A 39/4885CACNA1B 22/4885TP53 4710/4885

“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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