SCHEMBL29326730

SCHEMBL29326730

COc1cc(-c2cc3[nH]c(=O)n(-c4cccc5ccccc45)c(=O)c3cc2F)c(C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
BCAT1 P54687 12/20 0.36
BCAT2 O15382 5/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
IDH1 O75874 1/20 0.35
FASN P49327 1/20 0.34

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
SCHEMBL27191737 0.90 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL30701974 0.90 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL29326342 0.86 NPEPPS (0.39) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL30702073 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL27191901 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL27380568 0.79 CYP11B1 (0.44) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL27192321 0.79 HSD17B10 (0.43) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL30701994 0.79 HSD17B10 (0.43) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL29326760 0.78 HSD17B10 (0.48) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL29326253 0.77 NPEPPS (0.42) ALDH1A1KDM4EHPGDHSD17B10PKM

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 ALDH1A1 3259/4885KDM4E 3744/4885HPGD 2198/4885

“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.