SCHEMBL6500421

SCHEMBL6500421

CCOC(=O)c1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 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
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITK Q08881 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6500307 0.90 MAPT (0.49) NPC1RAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL6472225 0.85 KMO (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6508388 0.84 ITK (0.47) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL6470632 0.83 ITK (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6499042 0.83 KDM4E (0.49) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL6506090 0.82 IRAK4 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6498382 0.81 ITK (0.45) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL6505547 0.81 IRAK4 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL6497388 0.81 KDM4E (0.53) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL6506609 0.80 ITK (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EITK

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 NPC1 3546/4885RAB9A 2534/4885ALDH1A1 846/4885

“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.