SCHEMBL29326273

SCHEMBL29326273

O=c1[nH]c2cc(-c3ccccc3C3CC3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
FEN1 P39748 1/20 0.38
GAA P10253 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 2/20 0.37
HTR1A P08908 1/20 0.37
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35
POLB P06746 2/20 0.35
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 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
SCHEMBL27377733 0.88 NPEPPS (0.38) NPEPPSKDM4EHTTFEN1PKM
SCHEMBL29326224 0.87 NPEPPS (0.48) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326363 0.83 TNKS2 (0.50) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326236 0.83 NPEPPS (0.44) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326279 0.82 NPEPPS (0.42) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326221 0.82 NPEPPS (0.42) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326204 0.82 ERCC5 (0.40) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326223 0.81 FEN1 (0.58) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326366 0.81 KDM4E (0.47) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326335 0.81 NPEPPS (0.43) NPEPPSTDP1KDM4EHTTFEN1

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 168/4885TDP1 2732/4885KDM4E 3744/4885

“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.