SCHEMBL20208577

SCHEMBL20208577

FC(F)(F)COc1ccc(-c2ccn3ncc(C(F)(F)F)c3n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.62
CYP1A2 P05177 1/20 0.48
TRPV3 Q8NET8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN9A Q15858 4/20 0.42
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DGAT1 O75907 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGES O14684 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
NTRK1 P04629 1/20 0.35
MAPT P10636 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
SCHEMBL20190687 0.86 CYP1A2 (0.47) SCN5ACYP1A2TRPV3L3MBTL1SCN9A
SCHEMBL20190393 0.82 SCN5A (0.54) SCN5ATRPV3DGAT1NTRK1
SCHEMBL23572409 0.81 SCN5A (0.55) SCN5ACYP1A2TRPV3L3MBTL1SCN9A
SCHEMBL20191045 0.78 SCN5A (0.60) SCN5ACYP1A2L3MBTL1SCN9ANPSR1
SCHEMBL20208585 0.77 SCN5A (0.69) SCN5ANPSR1SMN1; SMN2POLBMAPK1
SCHEMBL20208586 0.77 SCN5A (1.00) SCN5ACYP1A2L3MBTL1SMN1; SMN2POLB
SCHEMBL20190410 0.74 SCN5A (0.65) SCN5AL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL3517867 0.73 SCN5A (0.41) SCN5ASMN1; SMN2POLBMAPT
SCHEMBL20189530 0.71 SCN5A (0.67) SCN5AL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL1332287 0.71 CYP1A2 (0.49) CYP1A2TRPV3L3MBTL1SCN9ANPSR1

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 1988/4885TRPV3 125/4885

“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.