SCHEMBL29326166

SCHEMBL29326166

O=c1[nH]c2cc(-c3ccccc3)sc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
CYP1A1 P04798 3/20 0.50
CYP1B1 Q16678 3/20 0.50
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPEPPS P55786 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTP4A3 O75365 1/20 0.40
PTP4A2 Q12974 1/20 0.40
PTP4A1 Q93096 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL29326177 0.90 ERCC5 (0.49) ERCC5FEN1CYP1A1CYP1B1KCNH2
SCHEMBL27377344 0.88 ERCC5 (0.54) ERCC5FEN1CYP1A1CYP1B1KCNH2
SCHEMBL29326467 0.86 ERCC5 (0.44) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326188 0.85 CYP1A1 (0.53) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326183 0.85 ERCC5 (0.43) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326162 0.85 CYP1A1 (0.53) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326215 0.83 ERCC5 (0.41) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326214 0.82 ERCC5 (0.41) ERCC5FEN1CYP1A1CYP1B1CYP1A2
SCHEMBL29326179 0.82 ERCC5 (0.41) ERCC5FEN1CYP1A1CYP1B1KCNH2
SCHEMBL29326194 0.82 ERCC5 (0.40) 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.