SCHEMBL15844874

SCHEMBL15844874

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.42
▸ TP53 P04637 1/20 0.39
▸ CTSL P07711 4/20 0.38
▸ CETP P11597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 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
SCHEMBL15844873 1.00 SCN9A (0.42) SCN9ATP53CTSLCETPKCNH2
SCHEMBL20088467 0.95 SCN9A (0.40) SCN9ATP53CTSLCETPKCNH2
SCHEMBL15844455 0.88 SCN9A (0.52) SCN9ATP53CTSLFPR2ALDH1A1
SCHEMBL15844454 0.88 SCN9A (0.52) SCN9ATP53CTSLFPR2ALDH1A1
SCHEMBL20088469 0.84 SCN9A (0.49) SCN9ATP53CTSLCNR2PSEN1
SCHEMBL15843983 0.81 SCN9A (0.58) SCN9AALDH1A1PSEN1PSEN2APH1B
SCHEMBL15843982 0.81 SCN9A (0.58) SCN9AALDH1A1PSEN1PSEN2APH1B
SCHEMBL20088465 0.76 SCN9A (0.54) SCN9AALDH1A1PSEN1PSEN2APH1B
SCHEMBL15844863 0.73 CYP3A4 (0.42) SCN9ACETPALDH1A1PSEN1PSEN2
SCHEMBL15844862 0.73 CYP3A4 (0.42) SCN9ACETPALDH1A1PSEN1PSEN2

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 50/4885TP53 4692/4885CTSL 4238/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885TP53 4747/4885CTSL 4224/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885TP53 4747/4885CTSL 4224/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 50/4885TP53 4692/4885CTSL 4238/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 SCN9A 39/4885TP53 4710/4885CTSL 4202/4885

“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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