SCHEMBL29326183

SCHEMBL29326183

Cc1ccccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
HAVCR2 Q8TDQ0 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
NPEPPS P55786 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
AURKA O14965 1/20 0.37
POLB P06746 2/20 0.36
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 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
SCHEMBL29326194 0.94 ERCC5 (0.40) ERCC5FEN1CYP1A1CYP1B1HAVCR2
SCHEMBL29326196 0.90 CYP1A1 (0.44) ERCC5FEN1CYP1A1CYP1B1HAVCR2
SCHEMBL29326162 0.89 CYP1A1 (0.53) ERCC5FEN1CYP1A1CYP1B1NPEPPS
SCHEMBL29326658 0.89 ERCC5 (0.39) ERCC5FEN1CYP1A1CYP1B1HCAR1
SCHEMBL27377355 0.88 HAVCR2 (0.38) ERCC5FEN1CYP1A1CYP1B1HAVCR2
SCHEMBL29326188 0.87 CYP1A1 (0.53) ERCC5FEN1CYP1A1CYP1B1NPEPPS
SCHEMBL29326219 0.87 ERCC5 (0.42) ERCC5FEN1CYP1A1CYP1B1HCAR1
SCHEMBL29326166 0.85 ERCC5 (0.60) ERCC5FEN1CYP1A1CYP1B1HCAR1
SCHEMBL29326215 0.85 ERCC5 (0.41) ERCC5FEN1CYP1A1CYP1B1NPEPPS
SCHEMBL29326216 0.85 ERCC5 (0.39) ERCC5FEN1CYP1A1CYP1B1HCAR1

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 ERCC5 2042/4885FEN1 1012/4885CYP1A1 882/4885

“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.