SCHEMBL29326442

SCHEMBL29326442

N#Cc1cccc(Cl)c1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.53
CACNG8 Q8WXS5 1/20 0.53
FASN P49327 9/20 0.45
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
NPEPPS P55786 1/20 0.41
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.39
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
S1PR1 P21453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGES O14684 1/20 0.37
JAK2 O60674 1/20 0.37
TBXAS1 P24557 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MCL1 Q07820 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
SCHEMBL29326606 0.91 KDM4E (0.44) GRIA1CACNG8FASNKDM4EHTT
SCHEMBL27378401 0.90 GRIA1 (0.48) GRIA1CACNG8FASNKDM4EHTT
SCHEMBL29326437 0.90 KDM4E (0.50) GRIA1CACNG8KDM4EHTTNPEPPS
SCHEMBL29326439 0.88 NPEPPS (0.41) GRIA1CACNG8FASNKDM4EHTT
SCHEMBL29326335 0.87 NPEPPS (0.43) FASNKDM4EHTTNPEPPSGAA
SCHEMBL29326358 0.86 HSD17B10 (0.45) GRIA1CACNG8FASNKDM4ENPEPPS
SCHEMBL29326678 0.85 FASN (0.40) GRIA1CACNG8FASNKDM4EHTT
SCHEMBL29326611 0.85 PTGES (0.48) GRIA1CACNG8KDM4EHTTNPEPPS
SCHEMBL29326451 0.84 KDM4E (0.45) KDM4EHTTNPEPPSGAATP53
SCHEMBL29326444 0.83 TP53 (0.44) GRIA1CACNG8KDM4EHTTNPEPPS

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 GRIA1 3704/4885CACNG8 3522/4885FASN 1084/4885

“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.