SCHEMBL6482665

SCHEMBL6482665

CN(C)c1ccccc1C[S+]([O-])c1nc2cc(O)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
GAA P10253 2/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
MCL1 Q07820 1/20 0.35
APP P05067 1/20 0.34
PTGS1 P23219 1/20 0.34
AURKA O14965 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
TSHR P16473 1/20 0.31
AMY1A P0DUB6 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL9396516 0.87 ATP4A (0.40) ATP4AATP4BGAAPKMHTT
SCHEMBL10703138 0.87 ATP4A (0.37) ATP4AATP4BGAAPKMHTT
SCHEMBL10697978 0.87 ATP4A (0.38) ATP4AATP4BAPPSLC40A1
SCHEMBL9395786 0.86 ATP4A (0.39) ATP4AATP4BGAAPKMHTT
SCHEMBL9395890 0.86 ATP4A (0.39) ATP4AATP4BGAAPKMHTT
SCHEMBL3689535 0.86 ATP4A (0.52) ATP4AATP4BGAAPKMLMNA
SCHEMBL30637598 0.86 ATP4A (0.52) ATP4AATP4BGAAPKMLMNA
SCHEMBL9676702 0.85 MAPT (0.42) ATP4AATP4BHTTLMNAMAPT
SCHEMBL6475466 0.85 ATP4A (0.39) ATP4AATP4BGAAPKMLMNA
SCHEMBL9678832 0.85 ATP4A (0.39) ATP4AATP4BGAAHTTLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 ATP4A 1/4885ATP4B 8/4885GAA 160/4885

“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.