SCHEMBL29326236

SCHEMBL29326236

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.44
PTGES O14684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TNKS2 Q9H2K2 3/20 0.42
TNKS O95271 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
FEN1 P39748 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
GAA P10253 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
PDE7A Q13946 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL29326224 0.91 NPEPPS (0.48) NPEPPSCYP2C9TDP1KDM4EHTT
SCHEMBL29326225 0.90 NPEPPS (0.48) NPEPPSPTGESTDP1TNKS2KDM4E
SCHEMBL29326440 0.88 NPEPPS (0.43) NPEPPSPTGESCYP2C9TDP1TNKS2
SCHEMBL27377718 0.87 NPEPPS (0.41) NPEPPSPTGESCYP2C9TNKS2TNKS
SCHEMBL29326363 0.86 TNKS2 (0.50) NPEPPSPTGESCYP2C9TDP1TNKS2
SCHEMBL29326328 0.86 IDO1 (0.41) NPEPPSTDP1TNKS2TNKSKDM4E
SCHEMBL29326290 0.86 NPEPPS (0.42) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326223 0.84 FEN1 (0.58) NPEPPSCYP2C9TDP1TNKS2KDM4E
SCHEMBL29326311 0.84 KDM4E (0.47) NPEPPSPTGESCYP2C9TDP1TNKS2
SCHEMBL29326366 0.84 KDM4E (0.47) NPEPPSPTGESCYP2C9TDP1TNKS2

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 168/4885PTGES 1477/4885CYP2C9 263/4885

“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.