SCHEMBL20088401

SCHEMBL20088401

CCN(C)Cc1nc2cc(C)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.35
▸ CACNA1H O95180 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CACNA1G O43497 3/20 0.33
▸ CACNA1C Q13936 3/20 0.33
▸ CACNA1B Q00975 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20088391 0.88 CACNA1H (0.36) CACNA1HALDH1A1CACNA1GCACNA1CCACNA1B
SCHEMBL15844092 0.87 CACNA1H (0.44) NLRP3CACNA1HALDH1A1CACNA1GCACNA1C
SCHEMBL20088395 0.86 CACNA1H (0.38) CACNA1HALDH1A1CACNA1GCACNA1CCACNA1B
SCHEMBL20088388 0.84 CACNA1H (0.42) CACNA1HALDH1A1CACNA1GCACNA1CCACNA1B
SCHEMBL20088381 0.82 CACNA1H (0.42) CACNA1HALDH1A1CACNA1GCACNA1CCACNA1B
SCHEMBL20088402 0.81 CACNA1H (0.44) CACNA1HALDH1A1CACNA1GCACNA1CCACNA1B
SCHEMBL20088399 0.79 CACNA1H (0.58) CACNA1HCACNA1GCACNA1CCACNA1BTDP1
SCHEMBL20094221 0.79 CACNA1H (0.38) CACNA1HCACNA1GCACNA1CCACNA1BTDP1
SCHEMBL15850783 0.79 CACNA1H (0.55) CACNA1HCACNA1GCACNA1CCACNA1BSMN1; SMN2
SCHEMBL20088400 0.78 CACNA1H (0.42) CACNA1HCACNA1GCACNA1CCACNA1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 NLRP3 1956/4885CACNA1H 65/4885ALDH1A1 588/4885

“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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