SCHEMBL6499446

SCHEMBL6499446

N#CCOc1ccc(F)cc1-c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.47
SCN10A Q9Y5Y9 2/20 0.45
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
ITK Q08881 1/20 0.38
FABP3 P05413 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6507532 0.92 SCN9A (0.52) SCN9ASCN10AALOX5APFEN1ITK
SCHEMBL6470117 0.91 ALOX5AP (0.39) SCN9ASCN10AALOX5APFEN1ITK
SCHEMBL6469640 0.84 ALOX5AP (0.41) SCN9AALOX5APFEN1ITKKDM4E
SCHEMBL6465874 0.84 ITK (0.44) SCN9AITKKDM4EALDH1A1HTT
SCHEMBL6465917 0.83 ITK (0.41) SCN9AALOX5APFEN1ITK
SCHEMBL6470662 0.82 ITK (0.45) SCN9AITKKDM4EMEN1ALDH1A1
SCHEMBL6470404 0.82 GPBAR1 (0.37) SCN9AALOX5APFEN1ITKALDH1A1
SCHEMBL6498000 0.82 ALOX5AP (0.39) SCN9AALOX5APFEN1ITKKDM4E
SCHEMBL6470295 0.82 SCN9A (0.49) SCN9ASCN10AITKKDM4EMEN1
SCHEMBL6467409 0.81 FEN1 (0.48) SCN9AALOX5APFEN1ITK

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 SCN9A 4159/4885SCN10A 3527/4885ALOX5AP 3501/4885

“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.