SCHEMBL23240704

SCHEMBL23240704

Nc1c(O)ccc2c(=O)c3ccc(O)c(N)c3oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.64
ATP1B1 P05026 3/20 0.64
ATP1A3 P13637 3/20 0.64
ATP1B2 P14415 3/20 0.64
ATP1A2 P50993 3/20 0.64
ATP1B3 P54709 3/20 0.64
FXYD2 P54710 3/20 0.64
ATP1A4 Q13733 3/20 0.64
NUDT1 P36639 1/20 0.64
GAA P10253 3/20 0.59
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ACE P12821 2/20 0.47
PTGS2 P35354 1/20 0.47
ESR2 Q92731 3/20 0.42
ESR1 P03372 2/20 0.42
MAOA P21397 3/20 0.42
PKLR P30613 1/20 0.42
GALNT2 Q10471 1/20 0.42
GALNT1 Q10472 1/20 0.42

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
SCHEMBL26440467 0.89 GAA (0.62) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240848 0.89 ATP1A1 (0.71) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240847 0.88 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3878168 0.87 GAA (0.56) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30451609 0.78 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL1444851 0.78 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15346147 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8869458 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15477703 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15346134 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 3 patents. 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
US-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION 2023-04-27 US disclosed
WO-2021072083-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION (US) 2021-04-15 WO 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 ATP1A1 1/4885ATP1B1 4/4885ATP1A3 9/4885

“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.