SCHEMBL29326229

SCHEMBL29326229

O=c1[nH]c2nc(-c3ccccc3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.61
TDP1 Q9NUW8 1/20 0.46
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.41
HCAR1 Q9BXC0 2/20 0.40
GRM4 Q14833 1/20 0.39
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPEPPS P55786 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
SCHEMBL27377612 0.87 FEN1 (0.57) FEN1MEN1KMT2ALMNAGRM4
SCHEMBL29326231 0.84 ITGA4 (0.44) FEN1TDP1ITGA4ITGB7KDM4E
SCHEMBL29326616 0.77 IDO1 (0.44) FEN1TDP1ITGA4ITGB7KDM4E
SCHEMBL29326223 0.76 FEN1 (0.58) FEN1TDP1KDM4ELMNAALDH1A1
SCHEMBL29959950 0.76 FEN1 (1.00) FEN1KDM4EALDH1A1ADORA2AADORA2B
SCHEMBL18687486 0.76 FEN1 (1.00) FEN1KDM4EALDH1A1ADORA2AADORA2B
SCHEMBL6976268 0.74 NPEPPS (0.63) FEN1TDP1KDM4EALDH1A1HTT
SCHEMBL27377613 0.74 FEN1 (0.40) FEN1ITGA4ITGB7KDM4EMEN1
SCHEMBL29326603 0.71 KDM4E (0.40) TDP1ITGA4ITGB7KDM4EMEN1
SCHEMBL29326224 0.70 NPEPPS (0.48) FEN1TDP1ITGA4ITGB7KDM4E

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 1012/4885TDP1 2732/4885ITGA4 4792/4885

“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.