SCHEMBL15844285

SCHEMBL15844285

CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 11/20 0.53
▸ CACNA1B Q00975 7/20 0.51
▸ CACNA1C Q13936 6/20 0.51
▸ CACNA1G O43497 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.39
▸ EGLN1 Q9GZT9 3/20 0.37
▸ DRD1 P21728 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL15844641 0.90 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844578 0.89 CACNA1H (0.55) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844216 0.87 CACNA1H (0.71) CACNA1HCACNA1BCACNA1CCACNA1GDRD1
SCHEMBL15844307 0.86 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844215 0.85 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15850892 0.85 CACNA1B (0.72) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844326 0.85 CACNA1H (0.72) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844410 0.83 CACNA1H (0.73) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844092 0.82 CACNA1H (0.44) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844031 0.81 CACNA1H (0.54) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3009427-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2016-04-20 — — EP 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 (3 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 CACNA1H 67/4885CACNA1B 17/4885CACNA1C 48/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CACNA1H 67/4885CACNA1B 17/4885CACNA1C 48/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CACNA1H 66/4885CACNA1B 22/4885CACNA1C 48/4885

“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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