Sugi Predict

Sugi Predict / Compounds / SCHEMBL6474629

SCHEMBL6474629

SCHEMBL6474629

Cc1cc(Cl)cc(C[S+]([O-])c2nc3ccccc3[nH]2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 9/20 0.58
▸ ATP4B P51164 9/20 0.58
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GFER P55789 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ PKM P14618 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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 SCHEMBL6480359 0.99 ATP4A (0.57) ATP4AATP4BMEN1KMT2AGFER
Water SCHEMBL6480357 0.99 ATP4A (0.57) ATP4AATP4BMEN1KMT2AGFER
SCHEMBL6475793 0.88 ATP4A (0.57) ATP4AATP4BMEN1KMT2ANPC1
Water SCHEMBL6484016 0.87 ATP4A (0.56) ATP4AATP4BMEN1KMT2ANPC1
Water SCHEMBL6484008 0.87 ATP4A (0.56) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL6482642 0.84 ATP4A (0.54) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL6475069 0.83 ATP4A (0.46) ATP4AATP4BMEN1KMT2AGFER
SCHEMBL6481752 0.82 ATP4A (0.56) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL6475333 0.81 ATP4A (0.55) ATP4AATP4BMEN1KMT2ANPC1
Water SCHEMBL6481792 0.80 ATP4A (0.54) ATP4AATP4BMEN1KMT2ANPC1

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 8/4885MEN1 4836/4885

“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.