SCHEMBL29326533

SCHEMBL29326533

O=c1[nH]c2cc(-c3ccccc3Cl)sc2c(=O)n1-c1cccc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MALT1 Q9UDY8 1/20 0.35
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
MAPK14 Q16539 3/20 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
SCHEMBL27192305 0.90 CYP1A1 (0.37) ERCC5FEN1CYP1A2CYP3A4GAA
SCHEMBL29326537 0.85 CYP1A1 (0.40) ERCC5FEN1GAACYP1A1CYP1B1
SCHEMBL29326162 0.85 CYP1A1 (0.53) ERCC5FEN1CYP1A2GAACYP1A1
SCHEMBL29326216 0.82 ERCC5 (0.39) ERCC5FEN1CYP1A2CYP3A4GAA
SCHEMBL27378779 0.80 GRM4 (0.37) ERCC5FEN1CYP3A4GAACYP2C19
SCHEMBL29326530 0.80 ERCC5 (0.42) ERCC5FEN1GAACYP1A1CYP1B1
SCHEMBL29326453 0.80 CYP1A1 (0.47) ERCC5FEN1CYP1A2GAAHPGD
SCHEMBL29326542 0.79 CYP1A1 (0.42) ERCC5FEN1CYP1A2GAAHPGD
SCHEMBL27192316 0.79 CYP1A1 (0.44) ERCC5FEN1CYP3A4GAACYP2C19
SCHEMBL29326219 0.78 ERCC5 (0.42) ERCC5FEN1CYP1A2CYP3A4GAA

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 1012/4885CYP1A2 152/4885

“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.