SCHEMBL25865133

SCHEMBL25865133

O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.43
SCN5A Q14524 2/20 0.43
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
GRIN1 Q05586 5/20 0.42
GRIN2B Q13224 5/20 0.42
TSPO P30536 1/20 0.42
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL22314911 0.89 SCN5A (0.52) TNIKSCN5ASCN1ASCN4AKCNH2
SCHEMBL22314528 0.87 GRIN1 (0.42) TNIKSCN5ASCN1ASCN4AKCNH2
SCHEMBL22315048 0.87 TNIK (0.43) TNIKSCN5ASCN1ASCN4AKCNH2
SCHEMBL22314557 0.82 SCN5A (0.46) SCN5ASCN1ASCN4AKCNH2SCN9A
SCHEMBL25865147 0.82 PDE5A (0.42) TNIKSCN5ASCN1ASCN4AKCNH2
SCHEMBL22314491 0.79 SCN5A (0.41) TNIKSCN5AKCNH2SCN9AGRIN1
SCHEMBL22314564 0.79 TNIK (0.48) TNIKCD74MIF
SCHEMBL22314496 0.79 TSPO (0.43) SCN5ATSPO
SCHEMBL22314889 0.79 TSPO (0.46) TSPO
SCHEMBL25869414 0.78 MET (0.42) SCN5ASCN1ASCN4AKCNH2SCN9A

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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B TNIK 3273/4885SCN5A 8/4885SCN1A 1/4885

“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.