SCHEMBL26539006

SCHEMBL26539006

CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3F)nn12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.56
SCN5A Q14524 4/20 0.56
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
MET P08581 2/20 0.41
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
CSNK1D P48730 2/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
EGFR P00533 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL26538989 0.91 CYP1A2 (0.56) CYP1A2SCN5AMETSCN1ASCN2A
SCHEMBL20203820 0.91 CYP1A2 (0.69) CYP1A2SCN5AALOX5APFEN1SCN1A
SCHEMBL26538938 0.86 CYP1A2 (0.54) CYP1A2SCN5A
SCHEMBL26539042 0.86 CYP1A2 (0.58) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL26539040 0.85 CYP1A2 (0.55) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL26539119 0.84 CYP1A2 (0.59) CYP1A2SCN5AMETSCN1ASCN2A
SCHEMBL26539054 0.82 CYP1A2 (0.52) CYP1A2SCN5AMETSCN1ASCN2A
SCHEMBL26539501 0.81 CYP1A2 (0.48) CYP1A2SCN5APRKD3MAP4K4CSNK1D
SCHEMBL26539261 0.81 CYP1A2 (0.53) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL20203737 0.81 CYP1A2 (0.69) CYP1A2SCN5ASCN1ASCN2A

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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885ALOX5AP 1626/4885

“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.