SCHEMBL26440467

SCHEMBL26440467

Cc1ccc2c(=O)c3ccc(O)c(N)c3oc2c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
HSD17B10 Q99714 2/20 0.62
GFER P55789 1/20 0.62
ATP1A1 P05023 2/20 0.53
ATP1B1 P05026 2/20 0.53
ATP1A3 P13637 2/20 0.53
ATP1B2 P14415 2/20 0.53
ATP1A2 P50993 2/20 0.53
ATP1B3 P54709 2/20 0.53
FXYD2 P54710 2/20 0.53
ATP1A4 Q13733 2/20 0.53
NUDT1 P36639 1/20 0.53
ESR2 Q92731 9/20 0.46
ESR1 P03372 6/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
MAOB P27338 1/20 0.41
MGAM O43451 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL23240704 0.89 ATP1A1 (0.64) GAAHSD17B10GFERATP1A1ATP1B1
SCHEMBL26440472 0.86 ATP1A1 (0.60) GAAHSD17B10GFERATP1A1ATP1B1
SCHEMBL23240848 0.80 ATP1A1 (0.71) GAAHSD17B10GFERATP1A1ATP1B1
SCHEMBL23240847 0.79 ATP1A1 (0.55) GAAHSD17B10GFERATP1A1ATP1B1
SCHEMBL3878168 0.78 GAA (0.56) GAAHSD17B10GFERATP1A1ATP1B1
SCHEMBL8724340 0.77 GAA (1.00) GAAHSD17B10GFERKDM4EALDH1A1
SCHEMBL26440507 0.76 ATP1A1 (0.79) GAAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL15477703 0.74 ATP1A1 (0.64) GAAHSD17B10ATP1A1ATP1B1ATP1A3
SCHEMBL1444851 0.70 ATP1A1 (1.00) GAAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30451609 0.70 ATP1A1 (1.00) GAAATP1A1ATP1B1ATP1A3ATP1B2

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-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION 2023-04-27 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-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER ATP1A1, ATP1A2, ATP4A GAA 132/4885HSD17B10 2814/4885GFER 4349/4885

“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.