SCHEMBL6500092

SCHEMBL6500092

COC(=O)c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
ITK Q08881 1/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL6508324 0.86 MAPKAPK2 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6472892 0.85 TP53 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6500307 0.85 MAPT (0.49) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6507198 0.84 MAP4K4 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6469794 0.84 LMNA (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6468659 0.83 ALDH1A1 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6470269 0.82 MAPT (0.44) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
Ammonia Solution, Strong SCHEMBL21070052 0.82 ALDH1A1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6505259 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6465833 0.81 ALDH1A1 (0.53) KDM4EALDH1A1MAPTNPC1RAB9A

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 846/4885MAPT 1906/4885

“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.