SCHEMBL6500307

SCHEMBL6500307

CCOC(=O)c1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
TP53 P04637 3/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6500421 0.90 NPC1 (0.47) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6533161 0.86 ITK (0.39) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6500092 0.85 KDM4E (0.47) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6507198 0.85 MAP4K4 (0.47) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6470269 0.83 MAPT (0.44) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6470250 0.83 ALDH1A1 (0.47) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6505259 0.82 KDM4E (0.44) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6500468 0.82 DGAT1 (0.45) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6497388 0.81 KDM4E (0.53) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL6498693 0.80 KDM4E (0.46) MAPTTP53NPC1RAB9AALDH1A1

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 MAPT 1906/4885TP53 711/4885NPC1 3546/4885

“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.