SCHEMBL29326760

SCHEMBL29326760

COc1ccc(Cl)c(-c2cc3[nH]c(=O)n(-c4cccc5ccccc45)c(=O)c3cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
NPBWR1 P48145 3/20 0.41
MCHR1 Q99705 1/20 0.41
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 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
SCHEMBL27379524 0.89 HSD17B10 (0.45) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326248 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A
SCHEMBL29326426 0.85 HSD17B10 (0.52) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326651 0.81 HSD17B10 (0.45) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326398 0.80 ALDH1A1 (0.52) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL27380549 0.79 HSD17B10 (0.50) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326762 0.79 HSD17B10 (0.45) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL29326253 0.79 NPEPPS (0.42) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL27192321 0.77 HSD17B10 (0.43) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL27192383 0.77 ALDH1A1 (0.41) HSD17B10PKMKDM4EALDH1A1HPGD

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.