SCHEMBL15844862

SCHEMBL15844862

CC(C)[C@@H](N)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
▸ CYP3A4 P08684 1/20 0.42
▸ SCN9A Q15858 4/20 0.40
▸ CLPP Q16740 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TACR1 P25103 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ TACR3 P29371 1/20 0.35

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
SCHEMBL15844863 1.00 CYP3A4 (0.42) CYP3A4SCN9ACLPPHDAC3HDAC1
SCHEMBL20088468 0.94 CYP3A4 (0.42) CYP3A4SCN9ACLPPHDAC3HDAC1
SCHEMBL15843889 0.85 SCN9A (0.40) CYP3A4SCN9ACLPPHDAC3HDAC1
SCHEMBL20088466 0.81 SCN9A (0.37) CYP3A4SCN9ACLPPHDAC3HDAC1
SCHEMBL15843983 0.81 SCN9A (0.58) CYP3A4SCN9AHDAC3HDAC1HDAC2
SCHEMBL15843982 0.81 SCN9A (0.58) CYP3A4SCN9AHDAC3HDAC1HDAC2
SCHEMBL26098255 0.79 MAPT (0.54) CLPPMAPTALDH1A1TACR1CA12
SCHEMBL26098257 0.79 MAPT (0.54) CLPPMAPTALDH1A1TACR1CA12
SCHEMBL12310940 0.78 MMP2 (0.45) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL20088465 0.76 SCN9A (0.54) CYP3A4SCN9AHDAC3HDAC1HDAC2

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 18 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-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-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-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 — — 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-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 — — 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
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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 — — 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
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 — — 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 CYP3A4 815/4885SCN9A 50/4885CLPP 4393/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 CYP3A4 749/4885SCN9A 52/4885CLPP 4540/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CYP3A4 749/4885SCN9A 52/4885CLPP 4540/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CYP3A4 815/4885SCN9A 50/4885CLPP 4393/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CYP3A4 801/4885SCN9A 39/4885CLPP 4452/4885

“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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