SCHEMBL29326203

SCHEMBL29326203

Cc1cc2ncnn2cc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 17/20 0.36
TLR8 Q9NR97 17/20 0.36
TLR7 Q9NYK1 17/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL27377460 0.91 TLR9 (0.35) TLR9TLR8TLR7ERCC5FEN1
SCHEMBL29326183 0.81 ERCC5 (0.43) ERCC5FEN1HCAR1KDM4EALDH1A1
SCHEMBL29326658 0.79 ERCC5 (0.39) ERCC5FEN1HCAR1KDM4EALDH1A1
SCHEMBL29326219 0.79 ERCC5 (0.42) ERCC5FEN1HCAR1KDM4EALDH1A1
SCHEMBL29326481 0.79 TLR8 (0.33) TLR9TLR8TLR7ERCC5FEN1
SCHEMBL29326194 0.78 ERCC5 (0.40) ERCC5FEN1HCAR1KDM4EALDH1A1
SCHEMBL29326196 0.76 CYP1A1 (0.44) ERCC5FEN1HCAR1KDM4EALDH1A1
SCHEMBL29326166 0.76 ERCC5 (0.60) ERCC5FEN1HCAR1KDM4EALDH1A1
SCHEMBL29326162 0.76 CYP1A1 (0.53) ERCC5FEN1KDM4EALDH1A1LMNA
SCHEMBL29326188 0.76 CYP1A1 (0.53) ERCC5FEN1KDM4EALDH1A1LMNA

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TLR9 4729/4885TLR8 4595/4885TLR7 4551/4885

“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.