SCHEMBL6483109

SCHEMBL6483109

COc1c(C)cc(N)c(C[S+]([O-])c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.59
ATP4B P51164 7/20 0.59
KMT2A Q03164 4/20 0.39
WDR5 P61964 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6475152 0.88 ATP4A (0.56) ATP4AATP4BKMT2AGAASMN1; SMN2
SCHEMBL6482632 0.88 ATP4A (0.51) ATP4AATP4BKMT2AWDR5SMN1; SMN2
SCHEMBL9286820 0.88 ATP4A (0.51) ATP4AATP4BKMT2AWDR5SMN1; SMN2
Water SCHEMBL6483950 0.87 ATP4A (0.55) ATP4AATP4BKMT2AGAASMN1; SMN2
Water SCHEMBL6483945 0.87 ATP4A (0.55) ATP4AATP4BKMT2AGAASMN1; SMN2
SCHEMBL9281985 0.87 ATP4A (0.45) ATP4AATP4B
SCHEMBL8399984 0.86 ATP4A (0.48) ATP4AATP4BKMT2AWDR5GAA
SCHEMBL9677072 0.85 ATP4A (0.46) ATP4AATP4BKMT2AWDR5GAA
SCHEMBL6481720 0.78 ATP4A (0.54) ATP4AATP4BKMT2AGAASMN1; SMN2
SCHEMBL23988442 0.78 WDR5 (0.58) ATP4AATP4BKMT2AWDR5GAA

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 8 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-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 8/4885KMT2A 2172/4885

“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.