Sugi Predict

Sugi Predict / Compounds / SCHEMBL6475333

SCHEMBL6475333

SCHEMBL6475333

Cc1ccc(C[S+]([O-])c2nc3ccccc3[nH]2)c(N)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 9/20 0.55
▸ ATP4B P51164 9/20 0.55
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ GAA P10253 1/20 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 SCHEMBL6481792 0.99 ATP4A (0.54) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
SCHEMBL6482642 0.86 ATP4A (0.54) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
SCHEMBL6475702 0.86 ATP4A (0.46) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
Water SCHEMBL6484454 0.85 ATP4A (0.45) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
Water SCHEMBL6484457 0.85 ATP4A (0.45) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
SCHEMBL6475793 0.83 ATP4A (0.57) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
SCHEMBL8399984 0.83 ATP4A (0.48) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
SCHEMBL6486461 0.82 ATP4A (0.53) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
Water SCHEMBL6484008 0.82 ATP4A (0.56) ATP4AATP4BALDH1A1SMN1; SMN2HPGD
Water SCHEMBL6484016 0.82 ATP4A (0.56) ATP4AATP4BALDH1A1SMN1; SMN2HPGD

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 7 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

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 8/4885ALDH1A1 2148/4885

“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.