SCHEMBL20203953

SCHEMBL20203953

FC1(F)CC(Oc2ccc(-c3ccc4nnc(C(F)(F)F)n4n3)cn2)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.65
SCN5A Q14524 1/20 0.50
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
MET P08581 1/20 0.36
NQO2 P16083 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PIP4K2C Q8TBX8 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
SCHEMBL26539131 0.92 CYP1A2 (0.54) CYP1A2SCN5AHRH3METNQO2
SCHEMBL20203728 0.85 CYP1A2 (0.62) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL20203796 0.85 CYP1A2 (0.68) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL20203845 0.82 CYP1A2 (0.70) CYP1A2SCN5AHRH3
SCHEMBL20203787 0.81 CYP1A2 (0.54) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL23522703 0.80 CYP1A2 (0.68) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL20203740 0.80 CYP1A2 (0.68) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL20203897 0.80 CYP1A2 (0.68) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL936862 0.79 CYP1A2 (1.00) CYP1A2SCN5AALDH1A1L3MBTL1HTT
SCHEMBL26539202 0.77 CYP1A2 (0.61) CYP1A2SCN5AMETNQO2PDE3B

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 4 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-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.