SCHEMBL5821272

SCHEMBL5821272

CN(CCN1CCC(c2ccc3[nH]c(-c4ccccc4NS(C)(=O)=O)cc3c2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
EGFR P00533 2/20 0.38
VCP P55072 2/20 0.36
TLR9 Q9NR96 9/20 0.36
TLR7 Q9NYK1 4/20 0.36
CARM1 Q86X55 2/20 0.35
KDR P35968 2/20 0.35
TLR8 Q9NR97 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
AURKA O14965 1/20 0.34
METAP2 P50579 1/20 0.33

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
SCHEMBL5824218 0.86 HRH3 (0.43) HRH3VCPTLR9TLR7KDR
SCHEMBL5818162 0.86 TLR9 (0.45) HRH3TLR9TLR7CARM1KDR
SCHEMBL5950589 0.85 TLR9 (0.54) TLR9TLR7CARM1TLR8
SCHEMBL5820341 0.84 NAMPT (0.44) EGFRVCPTLR9TLR7TLR8
SCHEMBL5820172 0.82 TLR9 (0.41) HRH3TLR9TLR7CARM1
SCHEMBL5822020 0.79 CCNT1 (0.43) HRH3TLR9TLR7CARM1
SCHEMBL5817299 0.74 TLR9 (0.64) TLR9TLR7CARM1TLR8
SCHEMBL5821888 0.73 DRD2 (0.56) TLR9TLR7CARM1
SCHEMBL5824277 0.72 TLR9 (0.66) TLR9TLR7CARM1TLR8
SCHEMBL4563607 0.71 HRH3 (0.44) HRH3CARM1

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 HRH3 1590/4885EGFR 3138/4885VCP 4161/4885

“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.