SCHEMBL26539296

SCHEMBL26539296

CC(F)(F)c1nnc2ccc(-c3ccc([C@@H]4CC4(F)F)cc3)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.56
SCN5A Q14524 1/20 0.46
MET P08581 4/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
GABRA1 P14867 1/20 0.37
HPGD P15428 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NQO2 P16083 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL26539280 1.00 CYP1A2 (0.56) CYP1A2SCN5AMETALDH1A1KDM4E
SCHEMBL26539298 1.00 CYP1A2 (0.56) CYP1A2SCN5AMETALDH1A1KDM4E
SCHEMBL20203841 0.90 CYP1A2 (0.58) CYP1A2SCN5AMETALDH1A1HSD17B10
SCHEMBL20203839 0.90 CYP1A2 (0.58) CYP1A2SCN5AMETALDH1A1HSD17B10
SCHEMBL20191046 0.90 CYP1A2 (0.58) CYP1A2SCN5AMETALDH1A1HSD17B10
SCHEMBL26539389 0.80 CYP1A2 (0.49) CYP1A2SCN5AMETKDM4EHSD17B10
SCHEMBL26539387 0.80 CYP1A2 (0.49) CYP1A2SCN5AMETKDM4EHSD17B10
SCHEMBL26539114 0.79 CYP1A2 (0.52) CYP1A2SCN5AMETALDH1A1KDM4E
SCHEMBL20203942 0.79 CYP1A2 (0.51) CYP1A2SCN5AMETALDH1A1KDM4E
SCHEMBL20203943 0.79 CYP1A2 (0.51) CYP1A2SCN5AMETALDH1A1KDM4E

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 8/4885MET 3724/4885

“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.