SCHEMBL29326231

SCHEMBL29326231

O=c1[nH]c2nc(-c3ccccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
FEN1 P39748 1/20 0.43
GRM4 Q14833 1/20 0.41
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HCAR1 Q9BXC0 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE7A Q13946 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
SCHEMBL29326229 0.84 FEN1 (0.61) ITGA4ITGB7TDP1FEN1GRM4
SCHEMBL29326382 0.79 TDP1 (0.43) ITGA4ITGB7TDP1FEN1KDM4E
SCHEMBL29326395 0.79 TDP1 (0.43) ITGA4ITGB7TDP1KDM4ELMNA
SCHEMBL29326614 0.79 KDM4E (0.45) ITGA4ITGB7TDP1GRM4KDM4E
SCHEMBL29326363 0.78 TNKS2 (0.50) ITGA4ITGB7TDP1FEN1KDM4E
SCHEMBL29326366 0.76 KDM4E (0.47) ITGA4ITGB7TDP1FEN1KDM4E
SCHEMBL29326238 0.75 CYP1A1 (0.48) ITGA4ITGB7TDP1GRM4KDM4E
SCHEMBL31050807 0.74 ALDH1A1 (0.42) TDP1FEN1GRM4KDM4ELMNA
SCHEMBL29326380 0.74 KDM4E (0.40) ITGA4ITGB7TDP1KDM4ELMNA
SCHEMBL29326248 0.74 KDM4E (0.45) ITGA4ITGB7TDP1KDM4EHTT

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 ITGA4 4792/4885ITGB7 4641/4885TDP1 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.