SCHEMBL29326306

SCHEMBL29326306

COc1cccc(Cl)c1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.53
CACNG8 Q8WXS5 2/20 0.53
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HIF1A Q16665 1/20 0.45
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPEPPS P55786 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 2/20 0.39
FASN P49327 1/20 0.39

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
SCHEMBL27377882 0.90 GRIA1 (0.48) GRIA1CACNG8HSD17B10PKMALDH1A1
SCHEMBL29326437 0.90 KDM4E (0.50) GRIA1CACNG8HSD17B10PKMKDM4E
SCHEMBL29326420 0.89 HSD17B10 (0.48) GRIA1CACNG8HSD17B10PKMALDH1A1
SCHEMBL29326321 0.88 HSD17B10 (0.47) GRIA1CACNG8HSD17B10PKMALDH1A1
SCHEMBL29326376 0.86 ALDH1A1 (0.50) GRIA1CACNG8HSD17B10PKMALDH1A1
SCHEMBL29326446 0.86 NPEPPS (0.43) GRIA1CACNG8HSD17B10PKMALDH1A1
SCHEMBL29326358 0.86 HSD17B10 (0.45) GRIA1CACNG8HSD17B10PKMALDH1A1
SCHEMBL29326360 0.85 HSD17B10 (0.45) HSD17B10PKMALDH1A1KDM4EHPGD
SCHEMBL29326611 0.85 PTGES (0.48) GRIA1CACNG8KDM4ESMN1; SMN2HTT
SCHEMBL29326451 0.84 KDM4E (0.45) KDM4EHTTNPEPPSGAATP53

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 GRIA1 3704/4885CACNG8 3522/4885HSD17B10 433/4885

“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.