SCHEMBL29328549

SCHEMBL29328549

O=c1[nH]c2cc(-c3ccccc3)ccc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.53
NPEPPS P55786 1/20 0.45
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
KCNMA1 Q12791 1/20 0.40
HSD17B10 Q99714 3/20 0.39
PKM P14618 1/20 0.39
PTGES O14684 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
MIF P14174 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL27377852 0.92 NPEPPS (0.44) FEN1NPEPPSKDM4EHTTHSD17B10
SCHEMBL27377729 0.91 PTGES (0.46) FEN1NPEPPSKDM4EHTTPTGES
SCHEMBL27377871 0.90 KDM4E (0.50) FEN1NPEPPSKDM4EHTTPTGES
SCHEMBL27377727 0.90 CYP11B1 (0.48) FEN1NPEPPSKDM4EHTTCYP11B1
SCHEMBL27377715 0.89 FEN1 (0.42) FEN1NPEPPSKDM4EHTTTNKS2
SCHEMBL27377863 0.89 KDM4E (0.46) FEN1NPEPPSKDM4EHTTHSD17B10
SCHEMBL27377600 0.88 NPEPPS (0.43) FEN1NPEPPSKDM4EHTTHSD17B10
SCHEMBL27377713 0.88 FEN1 (0.41) FEN1NPEPPSKDM4EHTTHSD17B10
SCHEMBL29328540 0.86 NPEPPS (0.44) FEN1NPEPPSKDM4EHTTTNKS2
SCHEMBL27377718 0.86 NPEPPS (0.41) FEN1NPEPPSKDM4EHTTTNKS2

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 168/4885KDM4E 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.