SCHEMBL29326232

SCHEMBL29326232

O=c1[nH]c2cc(-c3ccccc3Cl)cnc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
PTGES O14684 8/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
TP53 P04637 2/20 0.37
TNKS2 Q9H2K2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
GRM4 Q14833 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
SCHEMBL27377611 0.90 KDM4E (0.42) KDM4EHTTPTGESGRIN2DGRIN3B
SCHEMBL29326278 0.88 AURKA (0.40) KDM4EHTTPTGESGRIN1GRIN2B
SCHEMBL29326228 0.86 PLK4 (0.41) KDM4EHTTGAAITGA4ITGB7
SCHEMBL29326351 0.86 MCL1 (0.39) KDM4EHTTPTGESGRIN1GRIN2B
SCHEMBL29326355 0.84 PARP1 (0.42) ITGA4ITGB7HSP90AA1
SCHEMBL29326281 0.84 GRIA1 (0.44) KDM4EHTTTNKS2GRM4
SCHEMBL29326363 0.83 TNKS2 (0.50) KDM4EHTTPTGESCYP2C9GAA
SCHEMBL29326614 0.81 KDM4E (0.45) KDM4EHTTPTGESGAAITGA4
SCHEMBL29326366 0.79 KDM4E (0.47) KDM4EHTTPTGESCYP2C9GAA
SCHEMBL27379629 0.78 PKM (0.43) KDM4EHTTGRIN2DGRIN3BGRIN1

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 KDM4E 3744/4885HTT 3577/4885PTGES 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.