SCHEMBL420828

SCHEMBL420828

NC(=O)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.59
CSNK1D P48730 1/20 0.59
CSNK1G3 Q9Y6M4 1/20 0.57
CYP2C9 P11712 2/20 0.52
SCN9A Q15858 2/20 0.52
KCNK3 O14649 4/20 0.47
KCNK9 Q9NPC2 4/20 0.47
ANO1 Q5XXA6 1/20 0.46
F2R P25116 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL15541991 0.89 CSNK1E (0.60) CSNK1ECSNK1DCSNK1G3KCNK3KCNK9
SCHEMBL15541229 0.84 SMN1; SMN2 (0.64) CSNK1ECSNK1DCSNK1G3F2RNPC1
SCHEMBL2186987 0.80 CSNK1E (0.81) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL2187390 0.80 CSNK1E (0.53) CSNK1ECSNK1DCSNK1G3CYP2C9KCNK3
SCHEMBL2187471 0.79 CSNK1E (0.57) CSNK1ECSNK1DCSNK1G3KCNK3KCNK9
SCHEMBL2189072 0.78 CSNK1E (0.58) CSNK1ECSNK1DCSNK1G3KCNK3KCNK9
SCHEMBL419064 0.78 ALDH1A1 (0.58) CYP2C9NPC1RAB9AMEN1KMT2A
SCHEMBL2189173 0.78 CSNK1E (0.55) CSNK1ECSNK1DCSNK1G3KCNK3KCNK9
SCHEMBL2187098 0.77 CSNK1E (0.51) CSNK1ECSNK1DCSNK1G3CYP2C9KDM4E
SCHEMBL2187360 0.77 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3ANO1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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 (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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB CSNK1E 142/4885CSNK1D 188/4885CSNK1G3 342/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB CSNK1E 142/4885CSNK1D 188/4885CSNK1G3 342/4885

“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.