SCHEMBL29326284

SCHEMBL29326284

O=c1[nH]c2cc(-c3ccc4sccc4c3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.42
FEN1 P39748 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
DYRK1A Q13627 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGA4 P13612 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
SCHEMBL27377847 0.88 NPEPPS (0.39) NPEPPSFEN1KDM4EHTTGAA
SCHEMBL29326288 0.85 TDP1 (0.49) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326223 0.84 FEN1 (0.58) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326400 0.82 KDM4E (0.43) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326292 0.81 NPEPPS (0.42) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326224 0.81 NPEPPS (0.48) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326300 0.80 KDM4E (0.55) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326295 0.80 KDM4E (0.50) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326233 0.78 FEN1 (0.45) NPEPPSFEN1TDP1KDM4EHTT
SCHEMBL29326225 0.78 NPEPPS (0.48) NPEPPSFEN1TDP1KDM4EHTT

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 NPEPPS 168/4885FEN1 1012/4885TDP1 2732/4885

“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.