SCHEMBL29326426

SCHEMBL29326426

COc1ccc(Cl)c(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 5/20 0.43
HTT P42858 2/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
METAP2 P50579 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
NPEPPS P55786 1/20 0.38

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
SCHEMBL29326756 0.89 HSD17B10 (0.58) HSD17B10PKMKDM4EHTTMEN1
SCHEMBL27192042 0.89 HSD17B10 (0.48) HSD17B10PKMKDM4EHTTNPBWR1
SCHEMBL29326667 0.88 KDM4E (0.41) HSD17B10PKMKDM4EHTTNPBWR1
SCHEMBL29326316 0.87 KDM4E (0.55) KDM4EHTTTP53MEN1KMT2A
SCHEMBL29326762 0.86 HSD17B10 (0.45) HSD17B10PKMKDM4EHTTNPBWR1
SCHEMBL29326363 0.86 TNKS2 (0.50) KDM4EHTTTP53GAATDP1
SCHEMBL29326760 0.85 HSD17B10 (0.48) HSD17B10PKMKDM4EHTTNPBWR1
SCHEMBL29326366 0.84 KDM4E (0.47) KDM4EHTTTP53GAATDP1
SCHEMBL29326673 0.83 KDM4E (0.43) KDM4EHTTTP53GAATDP1
SCHEMBL29326666 0.83 HSP90AA1 (0.43) KDM4EHTTTP53MEN1KMT2A

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.