SCHEMBL29326358

SCHEMBL29326358

COc1cccc(C#N)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 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
FASN P49327 1/20 0.41
BCAT1 P54687 9/20 0.40
NPEPPS P55786 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ABL1 P00519 1/20 0.37
BCAT2 O15382 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD3 P35462 1/20 0.37
AR P10275 1/20 0.37
TNKS2 Q9H2K2 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
SCHEMBL27378025 0.90 HSD17B10 (0.42) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326439 0.88 NPEPPS (0.41) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326420 0.87 HSD17B10 (0.48) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326321 0.86 HSD17B10 (0.47) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326306 0.86 GRIA1 (0.53) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326442 0.86 GRIA1 (0.53) KDM4EALDH1A1FASNNPEPPSTNKS2
SCHEMBL29326335 0.84 NPEPPS (0.43) HSD17B10PKMKDM4EFASNNPEPPS
SCHEMBL29326360 0.83 HSD17B10 (0.45) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326233 0.79 FEN1 (0.45) HSD17B10PKMKDM4ENPEPPS
SCHEMBL29326225 0.79 NPEPPS (0.48) HSD17B10PKMKDM4ENPEPPSTNKS2

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.