SCHEMBL6476381

SCHEMBL6476381

CN(C)c1ccccc1C[S+]([O-])c1nc2cc(OCC3CC3)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
SLC6A3 Q01959 1/20 0.32
PDE2A O00408 1/20 0.32
MTNR1A P48039 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 0.31
ACACB O00763 3/20 0.31
KHK P50053 1/20 0.31
CHEK2 O96017 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
SCHEMBL6476394 0.93 RUNX1 (0.36) SLC6A2SLC6A4HTR3AKCNH2ATP4A
SCHEMBL6480755 0.85 PRMT5 (0.38) ATP4AATP4B
SCHEMBL10713745 0.84 RUNX1 (0.35) ATP4AATP4BKDM4C
SCHEMBL10712467 0.82 ATP4A (0.35) ATP4AATP4B
SCHEMBL9396516 0.80 ATP4A (0.40) ATP4AATP4B
SCHEMBL9677027 0.79 KDM4E (0.39) ATP4AATP4B
SCHEMBL10713702 0.79 RUNX1 (0.36) ATP4AATP4B
SCHEMBL9395786 0.79 ATP4A (0.39) ATP4AATP4B
SCHEMBL6482665 0.79 ATP4A (0.39) ATP4AATP4B
SCHEMBL9395890 0.79 ATP4A (0.39) ATP4AATP4B

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 6 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
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

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 SLC6A2 361/4885SLC6A4 389/4885HTR3A 790/4885

“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.