SCHEMBL3585016

SCHEMBL3585016

Nc1cnc2cc(CO)cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
RECQL P46063 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
RPS6KA3 P51812 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
PIK3CA P42336 1/20 0.30
PI4KA P42356 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
FYN P06241 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
ACHE P22303 1/20 0.30
ILK Q13418 1/20 0.30

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
SCHEMBL3597287 0.77 HSD17B10 (0.40) HSD17B10RECQLACHEILK
SCHEMBL3576640 0.77 EGFR (0.49) HSD17B10TLR9MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL29967583 0.77 HSD17B10 (0.38) HSD17B10RECQLACHE
SCHEMBL14421584 0.75 HSD17B10 (0.31) HSD17B10PIK3CA
SCHEMBL29960198 0.73 KDM4E (0.38) HSD17B10
SCHEMBL9385487 0.72 ALDH1A1 (0.39) HSD17B10RECQLPIK3CA
SCHEMBL1491435 0.71
Hydrochloric Acid SCHEMBL3943385 0.70 KDM4E (0.42) RECQLTOP2ATOP2BACHE
SCHEMBL4050058 0.67
SCHEMBL31378906 0.67 TLR9 (0.35) TLR9MAPKAPK2RPS6KA3CSNK2A1PLK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 HSD17B10 3107/4885TLR9 1155/4885RECQL 3366/4885

“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.