SCHEMBL29326451

SCHEMBL29326451

O=c1[nH]c2cc(-c3c(Cl)cccc3-c3ccccc3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
NPEPPS P55786 1/20 0.43
FEN1 P39748 1/20 0.42
PTGES O14684 8/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 2/20 0.41
CYP2C9 P11712 4/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL29326437 0.92 KDM4E (0.50) KDM4EHTTNPEPPSFEN1PTGES
SCHEMBL29326689 0.90 PTGES (0.48) KDM4EHTTNPEPPSFEN1PTGES
SCHEMBL29326585 0.90 BTK (0.41) KDM4EHTTNPEPPSPTGESGAA
SCHEMBL29326751 0.89 PTGES (0.41) KDM4EHTTNPEPPSPTGESGAA
SCHEMBL27378574 0.89 KDM4E (0.41) KDM4EHTTNPEPPSFEN1PTGES
SCHEMBL29326678 0.89 FASN (0.40) KDM4EHTTNPEPPSPTGESGAA
SCHEMBL29326363 0.88 TNKS2 (0.50) KDM4EHTTNPEPPSFEN1PTGES
SCHEMBL29326448 0.88 ITGA4 (0.42) KDM4EHTTNPEPPSFEN1PTGES
SCHEMBL29326440 0.88 NPEPPS (0.43) KDM4EHTTNPEPPSFEN1PTGES
SCHEMBL29326444 0.87 TP53 (0.44) KDM4EHTTNPEPPSFEN1PTGES

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 3577/4885NPEPPS 168/4885

“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.