SCHEMBL7238197

SCHEMBL7238197

O=c1c2ccc(O)c(O)c2oc2c(O)c(O)c(O)c(O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.72
ATP1B1 P05026 3/20 0.72
ATP1A3 P13637 3/20 0.72
ATP1B2 P14415 3/20 0.72
ATP1A2 P50993 3/20 0.72
ATP1B3 P54709 3/20 0.72
FXYD2 P54710 3/20 0.72
ATP1A4 Q13733 3/20 0.72
NUDT1 P36639 1/20 0.72
ACE P12821 2/20 0.58
PTGS2 P35354 1/20 0.54
PTPN1 P18031 2/20 0.53
MET P08581 1/20 0.51
PKLR P30613 1/20 0.49
GALNT2 Q10471 1/20 0.49
GALNT1 Q10472 1/20 0.49
GALNT3 Q14435 1/20 0.49
GALNT10 Q86SR1 1/20 0.49
GALNT13 Q8IUC8 1/20 0.49
GALNT6 Q8NCL4 1/20 0.49

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
SCHEMBL30451609 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL1444851 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL31258561 0.81 MAOA (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7237614 0.81 MAOA (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7227954 0.79 ATP1A1 (0.79) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL149545 0.76 MAOA (0.73) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3874869 0.76 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL151934 0.75 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL2313484 0.73 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30436568 0.73 ATP1A1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102573469-B Na/K-ATP enzyme ligand, ouabain G antagonist, test method and application thereof UNIV TOLEDO 2015-02-25 CN disclosed
US-6613797-B2 New xanthone derivatives useful for treating protozoan diseases INTERLAB, INC. 2003-09-02 US disclosed
EP-0888052-A4 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP (US) 2002-05-22 EP disclosed
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins INTERLAB, INC. 2002-05-09 US disclosed
WO-2001041773-A1 XANTHONE ANALOGS FOR TREATING INFECTIOUS DISEASES AND COMPLEXATION OF HEME AND PORPHYRINS INTERLAB, INC. (US) 2001-06-14 WO disclosed
US-5977077-A PARASITICIDES; ANTIPROTOZOA AGENT INTERLAB CORPORATION (US) 1999-11-02 US disclosed
EP-0888052-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034482-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP. (US) 1997-09-25 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-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins XPA, XDH, HMOX1 ATP1A1 2015/4885ATP1B1 2280/4885ATP1A3 2604/4885

“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.