SCHEMBL29326239

SCHEMBL29326239

N#Cc1cccc(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.44
NPEPPS P55786 1/20 0.43
PGR P06401 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CHEK1 O14757 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FLT3 P36888 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TYMP P19971 1/20 0.38
XDH P47989 2/20 0.37
TDO2 P48775 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL29326233 0.92 FEN1 (0.45) FEN1NPEPPSPGRTDP1KDM4E
SCHEMBL27377713 0.89 FEN1 (0.41) FEN1NPEPPSPGRKDM4EHTT
SCHEMBL29326678 0.88 FASN (0.40) NPEPPSKDM4EHTTCHEK1GAA
SCHEMBL29326223 0.87 FEN1 (0.58) FEN1NPEPPSPGRTDP1KDM4E
SCHEMBL29326673 0.86 KDM4E (0.43) FEN1NPEPPSPGRTDP1KDM4E
SCHEMBL29326335 0.85 NPEPPS (0.43) FEN1NPEPPSTDP1KDM4EHTT
SCHEMBL29326288 0.84 TDP1 (0.49) FEN1NPEPPSTDP1KDM4EHTT
SCHEMBL29326300 0.83 KDM4E (0.55) FEN1NPEPPSPGRTDP1KDM4E
SCHEMBL29326224 0.82 NPEPPS (0.48) FEN1NPEPPSTDP1KDM4EHTT
SCHEMBL29326295 0.81 KDM4E (0.50) FEN1NPEPPSPGRTDP1KDM4E

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 FEN1 1012/4885NPEPPS 168/4885PGR 2664/4885

“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.