SCHEMBL29326209

SCHEMBL29326209

COCc1ccccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GSK3B P49841 2/20 0.41
CDK2 P24941 1/20 0.41
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPEPPS P55786 2/20 0.37
HSD17B10 Q99714 2/20 0.36
PKM P14618 1/20 0.36
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3A P49840 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
EGLN3 Q9H6Z9 2/20 0.34
ADRA1B P35368 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
SCHEMBL27377463 0.89 CDK2 (0.41) ALDH1A1MAPTKDM4EGSK3BCDK2
SCHEMBL29326183 0.84 ERCC5 (0.43) ALDH1A1MAPTKDM4EGSK3BERCC5
SCHEMBL29326302 0.82 NPEPPS (0.43) ALDH1A1MAPTKDM4EFEN1TDP1
SCHEMBL29326162 0.82 CYP1A1 (0.53) ALDH1A1KDM4EGSK3BERCC5FEN1
SCHEMBL29326188 0.82 CYP1A1 (0.53) ALDH1A1KDM4EGSK3BERCC5FEN1
SCHEMBL29326210 0.81 ERCC5 (0.40) ALDH1A1MAPTKDM4EERCC5FEN1
SCHEMBL29326194 0.80 ERCC5 (0.40) ALDH1A1KDM4EGSK3BERCC5FEN1
SCHEMBL29326196 0.80 CYP1A1 (0.44) ALDH1A1KDM4EGSK3BERCC5FEN1
SCHEMBL29326166 0.80 ERCC5 (0.60) ALDH1A1KDM4EGSK3BERCC5FEN1
SCHEMBL29326215 0.80 ERCC5 (0.41) ALDH1A1KDM4EGSK3BERCC5FEN1

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 ALDH1A1 3259/4885MAPT 2197/4885KDM4E 3744/4885

“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.