SCHEMBL26538847

SCHEMBL26538847

CC(F)(F)COc1ccc(-c2ccc3nnc(C(F)F)n3n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.62
SCN5A Q14524 2/20 0.37
DGAT1 O75907 2/20 0.37
MET P08581 4/20 0.36
TNF P01375 2/20 0.36
KDM4E B2RXH2 3/20 0.34
PDE1A P54750 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34
GABRG2 P18507 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
SCHEMBL937579 0.91 CYP1A2 (0.75) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL26538833 0.85 CYP1A2 (0.84) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL938456 0.83 CYP1A2 (0.73) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL26538949 0.79 CYP1A2 (0.73) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL26539815 0.79 CYP1A2 (0.84) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL936862 0.77 CYP1A2 (1.00) CYP1A2SCN5AALDH1A1TDP1
SCHEMBL26538975 0.77 CYP1A2 (0.81) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL20203716 0.75 CYP1A2 (0.78) CYP1A2SCN5ADGAT1METKDM4E
SCHEMBL26538864 0.75 CYP1A2 (0.58) CYP1A2SCN5AMETKDM4ESMN1; SMN2
SCHEMBL20203755 0.74 CYP1A2 (0.84) CYP1A2SCN5ADGAT1METALDH1A1

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 8/4885DGAT1 458/4885

“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.