SCHEMBL29326376

SCHEMBL29326376

COc1cc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2cc1-c1c(Cl)cccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
WEE1 P30291 2/20 0.43
CHEK1 O14757 1/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
NPEPPS P55786 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40

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
SCHEMBL29326398 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL27378159 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326306 0.86 GRIA1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326212 0.81 HSD17B10 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326281 0.79 GRIA1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL27378173 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326391 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326386 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326420 0.77 HSD17B10 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL29326437 0.77 KDM4E (0.50) KDM4EHSD17B10PKMTP53NPEPPS

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 ALDH1A1 3259/4885KDM4E 3744/4885HPGD 2198/4885

“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.