SCHEMBL6476005

SCHEMBL6476005

CNc1ccccc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.52
ATP4B P51164 1/20 0.52
PKM P14618 2/20 0.40
DDAH1 O94760 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BCHE P06276 2/20 0.37
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SYK P43405 1/20 0.36
GAA P10253 3/20 0.36
THRB P10828 1/20 0.36

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
Water SCHEMBL6481932 0.99 ATP4A (0.51) ATP4AATP4BPKMDDAH1MAPT
SCHEMBL6374098 0.84 SMN1; SMN2 (0.38) ATP4AATP4BPKMDDAH1MAPT
SCHEMBL6475286 0.84 LMNA (0.50) ATP4AATP4BPKMMAPTLMNA
SCHEMBL9693721 0.83 PDE5A (0.42) ATP4AATP4BLMNAKMT2AALDH1A1
SCHEMBL9509195 0.82 ALDH1A1 (0.50) ATP4AATP4BPKMDDAH1MAPT
SCHEMBL8063340 0.82 RAB9A (0.40) ATP4AATP4BMAPTLMNAMEN1
SCHEMBL6475609 0.81 ATP4A (0.50) ATP4AATP4BPKMDDAH1MAPT
SCHEMBL10866312 0.80 PKM (0.44) PKMDDAH1MAPTLMNAMEN1
Water SCHEMBL8401632 0.80 ATP4A (0.49) ATP4AATP4BPKMDDAH1MAPT
Water SCHEMBL8401629 0.80 ATP4A (0.49) ATP4AATP4BPKMDDAH1MAPT

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 23 patents — showing the first 20. 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
US-5869513-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1999-02-09 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0213474-A2 Substituted toluidines, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-11 EP claimed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP claimed
JP-3223260-A None JP disclosed
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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0649305-A1 BENZIMIDAZOLES FOR ALLEVIATING STOMACH ULCERS IN SWINE MONSANTO COMPANY (US) 1995-04-26 EP disclosed
US-5389664-A Administering benzimidazole compounds to inhibit at pase activity MONSANTO COMPANY (US) 1995-02-14 US disclosed
EP-0248634-B1 STABILIZED BENZIMIDAZOLE DERIVATIVE AND COMPOSITION NIPPON CHEMIPHAR CO., LTD. (JP) 1993-07-21 EP disclosed
EP-0218336-B1 USE OF BENZYLSULFINYLBENZIMIDAZOLES AS CYTOPROTECTIVE AGENTS FOR THE GASTROINTESTINAL TRACT NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-18 EP disclosed
JP-H03223260-A BENZIMIDAZOLE DERIVATIVE AND ITS PREPARATION AND ANTI-ULCER AGENT CONTAINING THE SAME NIPPON CHEMIPHAR CO LTD 1991-10-02 JP disclosed
US-4824856-A Method of protecting gastrointestinal tract NIPPON CHEMIPHAR CO., LTD. (JP) 1989-04-25 US disclosed
EP-0248634-A2 Stabilized benzimidazole derivative and composition NIPPON CHEMIPHAR CO., LTD. (JP) 1987-12-09 EP disclosed
EP-0218336-A2 Use of benzylsulfinylbenzimidazoles as cytoprotective agents for the gastrointestinal tract NIPPON CHEMIPHAR CO., LTD. (JP) 1987-04-15 EP disclosed
EP-0213474-A2 Substituted toluidines, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-11 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 8/4885PKM 2131/4885

“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.