SCHEMBL29326658

SCHEMBL29326658

Cc1cc(F)ccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CYP1A2 P05177 1/20 0.36
BTK Q06187 1/20 0.36
PARP1 P09874 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HTT P42858 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPEPPS P55786 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29326200 0.90 CYP1A1 (0.43) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326183 0.89 ERCC5 (0.43) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL27379203 0.89 P2RX7 (0.37) ERCC5FEN1KDM4EHTTALDH1A1
SCHEMBL29326663 0.88 HSD17B10 (0.41) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326207 0.86 ERCC5 (0.36) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326194 0.85 ERCC5 (0.40) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326188 0.85 CYP1A1 (0.53) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326196 0.83 CYP1A1 (0.44) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326162 0.83 CYP1A1 (0.53) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326219 0.82 ERCC5 (0.42) ERCC5FEN1CYP1A1CYP1B1CYP1A2

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.