SCHEMBL29326360

SCHEMBL29326360

COc1cccc(C(N)=O)c1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
BTK Q06187 5/20 0.40
JAK2 O60674 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PARP1 P09874 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPEPPS P55786 1/20 0.39
HIF1A Q16665 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
KCNMA1 Q12791 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL27378027 0.91 HSD17B10 (0.41) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326420 0.88 HSD17B10 (0.48) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326321 0.85 HSD17B10 (0.47) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326306 0.85 GRIA1 (0.53) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326338 0.84 BTK (0.42) KDM4EBTKJAK2NPEPPSAURKA
SCHEMBL29326358 0.83 HSD17B10 (0.45) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326225 0.80 NPEPPS (0.48) HSD17B10PKMKDM4ETP53GAA
SCHEMBL27378372 0.78 HSD17B10 (0.45) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326756 0.77 HSD17B10 (0.58) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326437 0.76 KDM4E (0.50) HSD17B10PKMKDM4ETP53GAA

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 HSD17B10 433/4885PKM 2848/4885KDM4E 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.