SCHEMBL20203796

SCHEMBL20203796

Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OC1CC(F)(F)C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.68
SCN5A Q14524 1/20 0.46
ALDH1A1 P00352 2/20 0.39
MET P08581 8/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL26539202 0.92 CYP1A2 (0.61) CYP1A2SCN5AMET
SCHEMBL22711912 0.87 CYP1A2 (0.52) CYP1A2SCN5AALDH1A1METHTT
SCHEMBL22711940 0.87 CYP1A2 (0.52) CYP1A2SCN5AALDH1A1METHTT
SCHEMBL22711837 0.87 CYP1A2 (0.52) CYP1A2SCN5AALDH1A1METHTT
SCHEMBL20203787 0.85 CYP1A2 (0.54) CYP1A2SCN5AALDH1A1METL3MBTL1
SCHEMBL20203953 0.85 CYP1A2 (0.65) CYP1A2SCN5AALDH1A1METL3MBTL1
SCHEMBL22711879 0.83 CYP1A2 (0.51) CYP1A2SCN5AALDH1A1MET
SCHEMBL22744802 0.83 CYP1A2 (0.51) CYP1A2SCN5AALDH1A1MET
SCHEMBL22711930 0.83 CYP1A2 (0.51) CYP1A2SCN5AALDH1A1MET
SCHEMBL20203798 0.81 CYP1A2 (1.00) CYP1A2SCN5A

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 3 patents. 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
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098499-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 (2 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-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885ALDH1A1 916/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885ALDH1A1 916/4885

“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.