SCHEMBL20189261

SCHEMBL20189261

Cc1cc(OC(F)(F)F)ccc1-c1cnn2ncc(I)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.46
CYP1A2 P05177 3/20 0.42
GPR3 P46089 2/20 0.39
MCHR1 Q99705 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE10A Q9Y233 2/20 0.36
PDE2A O00408 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
ABL1 P00519 4/20 0.34
BCR P11274 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRIN2B Q13224 1/20 0.34
KCNH2 Q12809 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL20188529 0.85 SCN5A (0.50) SCN5ACYP1A2GPR3MCHR1MAOA
SCHEMBL20190144 0.82 SCN5A (0.50) SCN5AKCNH2
SCHEMBL23524435 0.81 SCN5A (0.43) SCN5ACYP1A2MCHR1ABL1FFAR4
SCHEMBL22712301 0.80 SCN5A (0.45) SCN5ACYP1A2GPR3MCHR1MAOA
SCHEMBL20191130 0.80 SCN5A (0.47) SCN5ACYP1A2GPR3MCHR1MAOA
SCHEMBL20208503 0.79 SCN5A (0.41) SCN5ACYP1A2MCHR1MAOAMAOB
SCHEMBL20190534 0.79 MAPT (0.44) SCN5ACYP1A2MCHR1PDE2AFFAR4
SCHEMBL20190211 0.79 CYP1A2 (0.47) SCN5ACYP1A2GPR3MCHR1MAOA
SCHEMBL22738446 0.75 SCN5A (0.47) SCN5ACYP1A2GPR3MCHR1MAOA
SCHEMBL26361529 0.74 SCN5A (0.44) SCN5ACYP1A2GPR3MCHR1MAOA

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
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

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 1988/4885GPR3 1830/4885

“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.