SCHEMBL20190231

SCHEMBL20190231

Cc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(I)n2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.53
CYP1A2 P05177 6/20 0.48
GRM5 P41594 6/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MCHR1 Q99705 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GPR3 P46089 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
SCHEMBL20190955 0.86 SCN5A (0.56) SCN5ACYP1A2GRM5MAOAMAOB
SCHEMBL20191104 0.83 CYP1A2 (0.52) SCN5ACYP1A2GRM5
SCHEMBL23572498 0.81 SCN5A (0.52) SCN5AGRM5
SCHEMBL23572552 0.81 SCN5A (0.53) SCN5ACYP1A2GRM5MAOAMAOB
SCHEMBL20190138 0.79 SCN5A (0.47) SCN5ACYP1A2GRM5MAOAMAOB
SCHEMBL20188635 0.71 SCN5A (0.49) SCN5ACYP1A2MAOAMAOBFFAR4
SCHEMBL20209001 0.70 SCN5A (0.52) SCN5A
SCHEMBL20189261 0.70 SCN5A (0.46) SCN5ACYP1A2MAOAMAOBMCHR1
SCHEMBL22712301 0.70 SCN5A (0.45) SCN5ACYP1A2MAOAMAOBMCHR1
SCHEMBL20190844 0.70 CYP1A2 (0.55) SCN5ACYP1A2GRM5

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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed
WO-2018098500-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 (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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885CYP1A2 1988/4885GRM5 179/4885

“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.