SCHEMBL17330317

SCHEMBL17330317

CNC(CC(C)C)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.55
▸ CTSL P07711 1/20 0.53
▸ MLYCD O95822 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ CTSD P07339 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.50
▸ ANPEP P15144 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL15843890 0.87 SCN9A (0.57) CACNA1BMLYCDSCN9A
SCHEMBL15844420 0.87 SCN9A (0.57) CACNA1BMLYCDSCN9A
SCHEMBL15843891 0.87 SCN9A (0.57) CACNA1BMLYCDSCN9A
SCHEMBL28747286 0.84 TP53 (0.52) CTSLMLYCDMEN1KMT2ACTSD
SCHEMBL20088471 0.84 SCN9A (0.54) CACNA1BCTSLSCN9AANPEP
SCHEMBL20088353 0.84 SCN9A (0.54) CACNA1BCTSLSCN9AANPEP
SCHEMBL13103578 0.83 MLYCD (0.59) MLYCDMEN1KMT2AEPHX1PLA2G1B
SCHEMBL28747285 0.82 CTSL (0.48) CTSLMLYCDMEN1KMT2ACTSD
SCHEMBL27684529 0.81 CCR2 (0.56) CTSLMLYCDMEN1KMT2ACTSD
SCHEMBL6173159 0.81 HTR2A (0.57) MLYCDMEN1KMT2AEPHX1PLA2G1B

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-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

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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CACNA1B 17/4885CTSL 4238/4885MLYCD 1956/4885

“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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