SCHEMBL20094224

SCHEMBL20094224

Cc1cc(C(F)(F)F)c2[nH]c(CC(=O)N3CCNCC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 3/20 0.57
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGES O14684 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ BRS3 P32247 2/20 0.34
▸ CTSS P25774 1/20 0.34

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
SCHEMBL20094226 0.89 LMNA (0.53) CACNA1HLMNATSHRPTGESMEN1
SCHEMBL15844374 0.88 CACNA1H (0.70) CACNA1HLMNATSHRMEN1KMT2A
SCHEMBL17342643 0.83 CACNA1H (0.78) CACNA1HLMNATSHRPTGES
SCHEMBL15844419 0.78 CACNA1H (0.54) CACNA1HLMNATSHRSCN7AKCNH2
SCHEMBL15844077 0.78 CACNA1H (0.56) CACNA1HLMNATSHRPTGESMEN1
SCHEMBL18761295 0.77 CACNA1H (0.56) CACNA1HGAAMEN1KMT2ASCN7A
SCHEMBL15844275 0.76 CACNA1H (0.54) CACNA1HLMNATSHRCYP3A4
SCHEMBL20088416 0.75 CACNA1H (0.46) CACNA1HMEN1KMT2AHTR2AHTR2C
SCHEMBL18761313 0.74 CACNA1H (0.53) CACNA1HLMNATSHRMEN1KMT2A
SCHEMBL20094221 0.74 CACNA1H (0.38) CACNA1HKMT2ANPSR1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 CACNA1H 65/4885LMNA 1318/4885TSHR 3672/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CACNA1H 65/4885LMNA 1318/4885TSHR 3672/4885

“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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