SCHEMBL26440472

SCHEMBL26440472

Cc1ccc2c(=O)c3cccc(O)c3oc2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.60
ATP1B1 P05026 3/20 0.60
ATP1A3 P13637 3/20 0.60
ATP1B2 P14415 3/20 0.60
ATP1A2 P50993 3/20 0.60
ATP1B3 P54709 3/20 0.60
FXYD2 P54710 3/20 0.60
ATP1A4 Q13733 3/20 0.60
MAOA P21397 9/20 0.54
EGFR P00533 1/20 0.50
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.46
STING1 Q86WV6 1/20 0.46
NUDT1 P36639 2/20 0.45
ESR2 Q92731 2/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
RELA Q04206 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 0.86 GAA (0.62) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240848 0.86 ATP1A1 (0.71) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7228336 0.82 ATP1A1 (0.79) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL151934 0.76 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240847 0.75 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240704 0.75 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12359896 0.74 MAOA (0.69) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL27532411 0.72 MAOA (0.57) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL26093529 0.72 ATP1A1 (0.60) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240708 0.72 ATP1A1 (0.73) 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 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 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.