SCHEMBL6475301

SCHEMBL6475301

CCCCc1ccc(N)c(C[S+]([O-])c2nc3ccccc3[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.59
ATP4B P51164 4/20 0.59
SKP2 Q13309 1/20 0.39
TLR8 Q9NR97 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BCHE P06276 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6475513 0.89 ATP4A (0.56) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL9279602 0.82 ATP4A (0.53) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL6474729 0.82 ATP4A (0.55) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL6475609 0.80 ATP4A (0.50) ATP4AATP4BNPC1RAB9ABCHE
SCHEMBL6474768 0.80 ATP4A (0.55) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL6475069 0.80 ATP4A (0.46) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL6475028 0.79 ATP4A (0.57) ATP4AATP4BNPC1RAB9AMAPT
Water SCHEMBL8401632 0.79 ATP4A (0.49) ATP4AATP4BNPC1RAB9AMAPT
Water SCHEMBL8401629 0.79 ATP4A (0.49) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL6474267 0.78 ATP4A (0.61) ATP4AATP4BNPC1RAB9AMAPT

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 9 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 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 8/4885SKP2 4111/4885

“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.