SCHEMBL29326527

SCHEMBL29326527

O=c1[nH]c2cc(-c3ccccc3Cl)sc2c(=O)n1-c1ccccc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 3/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
HTT P42858 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GNRHR P30968 1/20 0.35
ADRA1B P35368 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIK3CA P42336 1/20 0.33
TP53 P04637 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29326555 0.93 ERCC5 (0.36) HCAR1ERCC5FEN1GRIA1CACNG8
SCHEMBL30702053 0.88 CYP17A1 (0.39) ERCC5FEN1
SCHEMBL27192214 0.88 CYP17A1 (0.39) ERCC5FEN1
SCHEMBL29326494 0.86 ERCC5 (0.35) ERCC5FEN1GRIA1CACNG8HTT
SCHEMBL27381086 0.86 ERCC5 (0.34) HCAR1ERCC5FEN1GRIA1CACNG8
SCHEMBL29326204 0.82 ERCC5 (0.40) HCAR1ERCC5FEN1HTTCYP1A1
SCHEMBL29326553 0.82 KDM4E (0.41) ERCC5FEN1HTTCYP1A1CYP1B1
SCHEMBL27378918 0.82 RPS6KA3 (0.35) ERCC5FEN1MAPK14PIK3CA
SCHEMBL29326162 0.82 CYP1A1 (0.53) ERCC5FEN1HTTCYP1A1CYP1B1
SCHEMBL29326530 0.81 ERCC5 (0.42) HCAR1ERCC5FEN1HTTCYP1A1

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 HCAR1 4317/4885ERCC5 2042/4885FEN1 1012/4885

“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.