SCHEMBL20208533

SCHEMBL20208533

N#CC1(c2ccc(-c3ccc4ncc(C(F)(F)F)n4c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.55
CYP1A2 P05177 2/20 0.49
MAP4K4 O95819 1/20 0.36
TNF P01375 1/20 0.36
MAP4K1 Q92918 1/20 0.35
CYP3A4 P08684 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TGFBR1 P36897 6/20 0.34
MLYCD O95822 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL20189522 0.86 CYP1A2 (0.50) SCN5ACYP1A2TNFMKNK1MKNK2
SCHEMBL23572493 0.85 CYP1A2 (0.44) SCN5ACYP1A2MAP4K4MAP4K1MLYCD
SCHEMBL20209245 0.80 CYP1A2 (0.51) SCN5ACYP1A2MAP4K4TNFMAP4K1
SCHEMBL938561 0.79 CYP1A2 (0.65) SCN5ACYP1A2
SCHEMBL20209244 0.78 SCN5A (0.55) SCN5ACYP1A2MAP4K4MAP4K1MLYCD
SCHEMBL20209265 0.76 SCN5A (0.69) SCN5ATGFBR1
SCHEMBL26463399 0.75 CYP1A2 (0.44) CYP1A2MAP4K4TNFMAP4K1MLYCD
SCHEMBL938060 0.75 CYP1A2 (0.60) SCN5ACYP1A2MAP4K4
SCHEMBL26462839 0.73 SCN5A (0.44) SCN5ACYP1A2MAP4K4MAP4K1MLYCD
SCHEMBL938554 0.72 CYP1A2 (0.56) SCN5ACYP1A2

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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO 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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885CYP1A2 1988/4885MAP4K4 3747/4885

“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.