SCHEMBL25044524

SCHEMBL25044524

O=C(Cn1c(C(F)(F)F)nc(-c2ccc(C(F)(F)F)cc2)c1-c1ccncc1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
RIPK3 Q9Y572 2/20 0.42
MAPT P10636 1/20 0.41
MAPK14 Q16539 5/20 0.41
CACNA1H O95180 1/20 0.38
MAPK11 Q15759 3/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
SCN7A Q01118 2/20 0.37
SCN9A Q15858 1/20 0.37
RAF1 P04049 1/20 0.36
CLK2 P49760 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
SCHEMBL30232556 0.93 RIPK3 (0.50) RIPK3MAPTMAPK14MAPK11MAPK13
SCHEMBL30232557 0.81 PTGS2 (0.53) KCNH2MAPK14MAPK11MAPK13MAPK12
SCHEMBL25043409 0.79 RIPK3 (0.52) RIPK3MAPK14MAPK11MAPK13MAPK12
SCHEMBL25044591 0.79 RIPK3 (0.52) KCNH2RIPK3MAPK14MAPK11MAPK13
SCHEMBL29974820 0.78 MAPK14 (0.46) RIPK3MAPK14MAPK11
SCHEMBL23410401 0.78 GRIA1 (0.53) RIPK3MAPTMAPK14
SCHEMBL30232366 0.77 RIPK3 (0.49) RIPK3MAPK14MAPK11MAPK13MAPK12
SCHEMBL29975240 0.76 MAPT (0.41) KCNH2RIPK3MAPTSCN9A
SCHEMBL23410299 0.70 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12
SCHEMBL23410820 0.68 PTGS2 (0.55) MAPK14MAPK11MAPK13MAPK12

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-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 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-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 KCNH2 4300/4885RIPK3 3338/4885MAPT 1445/4885

“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.