SCHEMBL6501117

SCHEMBL6501117

CCCOc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HSD17B10 Q99714 1/20 0.45
ITK Q08881 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
CSNK2A1 P68400 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PNLIP P16233 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NLRP1 Q9C000 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL6502166 0.89 MAPT (0.46) MAPTHSD17B10ITKNPC1RAB9A
SCHEMBL6468677 0.86 MEN1 (0.47) MAPTITKNPC1RAB9AMEN1
SCHEMBL6510133 0.83 ABCB1 (0.44) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6506767 0.83 ITK (0.48) MAPTHSD17B10ITKKDM4EHTT
SCHEMBL6468749 0.81 ITK (0.44) MAPTITKNPC1RAB9AMEN1
SCHEMBL6500313 0.79 ITK (0.47) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL6470449 0.78 ITK (0.42) MAPTITKNPC1RAB9AMEN1
SCHEMBL6506313 0.78 ITK (0.44) MAPTITKNPC1RAB9AMEN1
SCHEMBL6468065 0.77 ITK (0.43) MAPTITKNPC1RAB9AMEN1
SCHEMBL6507055 0.76 ITK (0.53) MAPTITKNPC1RAB9APOLB

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 1906/4885HSD17B10 3904/4885ITK 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.