SCHEMBL6507522

SCHEMBL6507522

CCN(CC)C(=O)COc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ITK Q08881 1/20 0.43
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ICMT O60725 4/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
PFKFB3 Q16875 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL6470681 0.91 ITK (0.44) NPC1RAB9AITKTSHRALDH1A1
SCHEMBL6500765 0.88 ITK (0.46) NPC1RAB9AITKTSHRALDH1A1
SCHEMBL6499891 0.88 ITK (0.46) NPC1RAB9AITKALDH1A1MAPK10
SCHEMBL6499288 0.87 PLA2G10 (0.45) NPC1RAB9AITKALDH1A1SMN1; SMN2
SCHEMBL6499400 0.86 RAB9A (0.48) NPC1RAB9AITKTSHRALDH1A1
SCHEMBL6508966 0.86 ITK (0.45) NPC1RAB9AITKTSHRALDH1A1
SCHEMBL6499975 0.84 ITK (0.40) NPC1RAB9AITKALDH1A1SMN1; SMN2
SCHEMBL6505547 0.84 IRAK4 (0.53) NPC1RAB9AITKTSHRALDH1A1
SCHEMBL6505457 0.83 ITK (0.48) ITKTSHRALDH1A1MAPK10MAPT
SCHEMBL6507289 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1ICMTPFKFB3

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 2534/4885ITK 4236/4885

“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.