SCHEMBL6504829

SCHEMBL6504829

NC(=O)Nc1cn(-c2cccc(-c3ccccc3OCc3ccccc3)c2)nc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.53
PTGER1 P34995 6/20 0.47
PTGER4 P35408 5/20 0.47
PTGER3 P43115 5/20 0.47
PTGER2 P43116 5/20 0.47
GRM5 P41594 1/20 0.46
MCL1 Q07820 1/20 0.43
PPIA P62937 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ITK Q08881 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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 0.86 SCN9A (0.52) SCN9AITKSCN10A
SCHEMBL6507806 0.85 SCN9A (0.57) SCN9AITKSCN10A
SCHEMBL6502841 0.85 SCN9A (0.53) SCN9AITKSCN10A
SCHEMBL6504813 0.82 PTGER1 (0.44) PTGER1PPIAITK
SCHEMBL6502010 0.81 SCN9A (0.51) SCN9AGRM5ITKSCN10A
SCHEMBL6470433 0.80 SCN9A (0.48) SCN9AITKSCN10A
SCHEMBL6468124 0.80 ITK (0.44) SCN9AITKCYP11B2
SCHEMBL6506576 0.80 LMNA (0.46) SCN9AITK
SCHEMBL6499446 0.79 SCN9A (0.47) SCN9AITKSCN10A
SCHEMBL6467585 0.79 SCN9A (0.44) SCN9AITK

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 4159/4885PTGER1 749/4885PTGER4 210/4885

“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.