SCHEMBL29326673

SCHEMBL29326673

N#Cc1ccc(Cl)c(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.41
TNKS2 Q9H2K2 2/20 0.40
GAA P10253 1/20 0.39
NPEPPS P55786 1/20 0.38
PGR P06401 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
GRM4 Q14833 1/20 0.36
FEN1 P39748 1/20 0.35
FLT3 P36888 2/20 0.35
PIM1 P11309 1/20 0.35
PTGES O14684 2/20 0.35
CYP2C9 P11712 1/20 0.35
FASN P49327 1/20 0.35

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
SCHEMBL27379212 0.89 KDM4E (0.40) KDM4EHTTTP53TNKS2GAA
SCHEMBL29326316 0.87 KDM4E (0.55) KDM4EHTTTP53TNKS2GAA
SCHEMBL29326233 0.87 FEN1 (0.45) KDM4EHTTGAANPEPPSPGR
SCHEMBL29326678 0.86 FASN (0.40) KDM4EHTTTP53TNKS2GAA
SCHEMBL29326239 0.86 FEN1 (0.44) KDM4EHTTGAANPEPPSPGR
SCHEMBL29326363 0.86 TNKS2 (0.50) KDM4EHTTTP53TNKS2GAA
SCHEMBL29326335 0.84 NPEPPS (0.43) KDM4EHTTGAANPEPPSCA1
SCHEMBL29326366 0.84 KDM4E (0.47) KDM4EHTTTP53TNKS2GAA
SCHEMBL29326666 0.83 HSP90AA1 (0.43) KDM4EHTTTP53TNKS2GAA
SCHEMBL29326426 0.83 HSD17B10 (0.52) KDM4EHTTTP53TNKS2GAA

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 3577/4885TP53 1119/4885

“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.