SCHEMBL29326440

SCHEMBL29326440

Cc1cccc(-c2ccccc2)c1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.43
FEN1 P39748 1/20 0.42
PTGES O14684 2/20 0.41
TNKS2 Q9H2K2 1/20 0.39
KDM4E B2RXH2 3/20 0.39
BRD4 O60885 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38
MPL P40238 1/20 0.38
TYMS P04818 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNMA1 Q12791 1/20 0.37
GAA P10253 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL29326225 0.92 NPEPPS (0.48) NPEPPSFEN1PTGESTNKS2KDM4E
SCHEMBL27378398 0.89 PTGES (0.40) NPEPPSFEN1PTGESTNKS2KDM4E
SCHEMBL29326236 0.88 NPEPPS (0.44) NPEPPSFEN1PTGESTNKS2KDM4E
SCHEMBL29326451 0.88 KDM4E (0.45) NPEPPSFEN1PTGESTNKS2KDM4E
SCHEMBL29326420 0.85 HSD17B10 (0.48) NPEPPSFEN1TNKS2KDM4ETDP1
SCHEMBL29326223 0.85 FEN1 (0.58) NPEPPSFEN1TNKS2KDM4ETDP1
SCHEMBL29326439 0.84 NPEPPS (0.41) NPEPPSFEN1PTGESKDM4ETDP1
SCHEMBL29326224 0.84 NPEPPS (0.48) NPEPPSFEN1KDM4ETDP1HTT
SCHEMBL29326437 0.81 KDM4E (0.50) NPEPPSFEN1PTGESKDM4ETDP1
SCHEMBL29326363 0.80 TNKS2 (0.50) NPEPPSFEN1PTGESTNKS2KDM4E

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 NPEPPS 168/4885FEN1 1012/4885PTGES 1477/4885

“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.