SCHEMBL29326335

SCHEMBL29326335

N#Cc1ccccc1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.43
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TRPA1 O75762 1/20 0.40
PIM1 P11309 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
FEN1 P39748 1/20 0.39
GAA P10253 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL29326226 0.90 NPEPPS (0.42) NPEPPSMCL1TDP1PIM1KDM4E
SCHEMBL29326224 0.89 NPEPPS (0.48) NPEPPSMCL1TDP1KDM4EHTT
SCHEMBL27191906 0.88 CYP11B1 (0.46) NPEPPSMCL1TRPA1KDM4EHTT
SCHEMBL29326442 0.87 GRIA1 (0.53) NPEPPSMCL1TDP1KDM4EHTT
SCHEMBL29326439 0.87 NPEPPS (0.41) NPEPPSTDP1CA1CA2KDM4E
SCHEMBL29326326 0.86 PRMT5 (0.43) NPEPPSMCL1TDP1PIM1KDM4E
SCHEMBL29326233 0.86 FEN1 (0.45) NPEPPSTDP1PIM1CA1CA2
SCHEMBL29326239 0.85 FEN1 (0.44) NPEPPSTDP1CA1CA2KDM4E
SCHEMBL29326236 0.84 NPEPPS (0.44) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326363 0.84 TNKS2 (0.50) 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 168/4885MCL1 4265/4885TDP1 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.