SCHEMBL29326524

SCHEMBL29326524

O=c1[nH]c2cc(-c3ccccc3Cl)ccc2c(=O)n1-c1ccccc1C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
TP53 P04637 2/20 0.37
FEN1 P39748 1/20 0.36
EGFR P00533 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
GAA P10253 1/20 0.35
PTGES O14684 3/20 0.35
CYP2C9 P11712 1/20 0.35
PAK1 Q13153 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
HSP90AA1 P07900 2/20 0.34
LCK P06239 1/20 0.34
MAPK14 Q16539 1/20 0.34
KRAS P01116 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
SCHEMBL27378771 0.89 TNKS2 (0.40) TNKS2KDM4EHTTTP53EGFR
SCHEMBL29326522 0.84 TNKS2 (0.46) TNKS2KDM4EHTTPIK3C3
SCHEMBL29326555 0.82 ERCC5 (0.36) KDM4EHTTGRIA1CACNG8FEN1
SCHEMBL29326500 0.79 TNKS2 (0.60) TNKS2KDM4EHTTTP53FEN1
SCHEMBL29326563 0.78 TNKS2 (0.56) TNKS2KDM4EHTTTP53FEN1
SCHEMBL29326509 0.78 TNKS2 (0.53) TNKS2KDM4EHTTTP53FEN1
SCHEMBL29326363 0.78 TNKS2 (0.50) TNKS2KDM4EHTTTP53FEN1
SCHEMBL29326273 0.77 NPEPPS (0.41) TNKS2KDM4EHTTGRIA1CACNG8
SCHEMBL27378767 0.77 CNR2 (0.42) TNKS2KDM4EHTTPTGESCYP2C9
SCHEMBL29326503 0.76 TNKS2 (0.55) TNKS2KDM4EHTTTP53FEN1

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 TNKS2 619/4885KDM4E 3744/4885HTT 3577/4885

“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.