SCHEMBL6500566

SCHEMBL6500566

CCOC(=O)c1c(N)c(C(N)=O)nn1-c1ccc(I)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADORA1 P30542 1/20 0.41
MAPT P10636 5/20 0.39
GABRA2 P47869 3/20 0.38
GABRB2 P47870 2/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
APAF1 O14727 1/20 0.36
ALOX12 P18054 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
LMNA P02545 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
SCHEMBL6533325 0.88 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL6470420 0.85 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL6500282 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL6498775 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6469895 0.77 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL6470606 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL6504869 0.75 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL6508436 0.74 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6469689 0.72 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6340851 0.71 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10ADORA1

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 KDM4E 2424/4885ALDH1A1 846/4885HPGD 1845/4885

“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.