SCHEMBL7930040

SCHEMBL7930040

COc1cc2nc([S+]([O-])Cc3cc(C)ccc3N)[nH]c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.42
ATP4B P51164 4/20 0.42
F10 P00742 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.34
POLB P06746 2/20 0.33
AMY1A P0DUB6 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL6475624 0.86 ATP4A (0.48) ATP4AATP4BALDH1A1CYP3A4MAPT
SCHEMBL10701972 0.85 ALOX5 (0.37) ATP4AATP4BF10ALOX5EPHX2
SCHEMBL6474729 0.81 ATP4A (0.55) ATP4AATP4BALDH1A1MAPTKDM4E
SCHEMBL6476845 0.80 ATP4A (0.50) ATP4AATP4BALDH1A1CYP3A4MAPT
SCHEMBL6475030 0.78 ATP4A (0.45) ATP4AATP4BALDH1A1MAPTKDM4E
SCHEMBL3695840 0.78 ATP4A (0.52) ATP4AATP4BF10ALDH1A1CYP3A4
SCHEMBL3917830 0.78 ATP4A (0.42) ATP4AATP4BALDH1A1CYP3A4MAPT
SCHEMBL6475517 0.76 PDE10A (0.39) F10PDE10AAMY1A
SCHEMBL6481713 0.76 GAA (0.39) ATP4AATP4BALDH1A1MAPTKDM4E
SCHEMBL10879264 0.76 ALDH1A1 (0.41) ATP4AATP4BF10ALDH1A1MAPT

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 3 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
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 ATP4A 1/4885ATP4B 8/4885F10 4096/4885

“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.