SCHEMBL29326437

SCHEMBL29326437

O=c1[nH]c2cc(-c3c(Cl)cccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
NPEPPS P55786 2/20 0.48
GAA P10253 1/20 0.46
TP53 P04637 2/20 0.45
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
FEN1 P39748 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
PTGES O14684 3/20 0.40
PDE7A Q13946 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSP90AA1 P07900 3/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL29326611 0.92 PTGES (0.48) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326451 0.92 KDM4E (0.45) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326606 0.91 KDM4E (0.44) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326444 0.91 TP53 (0.44) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326442 0.90 GRIA1 (0.53) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326306 0.90 GRIA1 (0.53) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326363 0.90 TNKS2 (0.50) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326225 0.88 NPEPPS (0.48) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326295 0.88 KDM4E (0.50) KDM4EHTTNPEPPSGAATP53
SCHEMBL27192346 0.88 KDM4E (0.46) 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 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.