SCHEMBL6486433

SCHEMBL6486433

COc1ccnc(C[S+]([O-])c2nc3c(F)cccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.46
NOS1 P29475 12/20 0.46
CYP2C9 P11712 1/20 0.46
NOS3 P29474 9/20 0.44
AURKA O14965 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 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
SCHEMBL9668659 0.90 NOS1 (0.36) NOS2NOS1CYP2C9NOS3KDM4E
SCHEMBL5663053 0.87 NOS2 (0.44) NOS2NOS1CYP2C9NOS3AURKA
SCHEMBL10617543 0.80 NOS2 (0.42) NOS2NOS1CYP2C9NOS3ATP4A
SCHEMBL8679184 0.77 NOS2 (0.71) NOS2NOS1CYP2C9NOS3KDM4E
SCHEMBL9526170 0.76 ATP4A (0.47) NOS2NOS1CYP2C9NOS3KDM4E
SCHEMBL9687860 0.76 ATP4A (0.42) NOS2NOS1CYP2C9NOS3ATP4A
SCHEMBL9673068 0.76 NOS2 (0.42) NOS2NOS1CYP2C9NOS3ATP4A
SCHEMBL9687927 0.75 ATP4A (0.41) NOS2NOS1CYP2C9NOS3KDM4E
SCHEMBL9686863 0.75 ATP4A (0.41) NOS2NOS1CYP2C9NOS3KDM4E
SCHEMBL5662760 0.74 NOS2 (0.41) NOS2NOS1CYP2C9NOS3KDM4E

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 23 patents — showing the first 20. 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
JP-2793905-B2 1998-09-03 JP claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0449935-B1 COMPOUND WITH GASTRIC ACID INHIBITORY EFFECT AND PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1994-08-31 EP claimed
EP-0449935-A1 COMPOUND WITH GASTRIC ACID INHIBITORY EFFECT AND PROCESS FOR ITS PREPARATION. HAESSLE AB (SE) 1991-10-09 EP claimed
US-5025024-A Gastrointestinal inflammatory diseases; antiulcer agents AKTIEBOLAGET HASSLE (SE) 1991-06-18 US claimed
WO-1990006924-A1 COMPOUND WITH GASTRIC ACID INHIBITORY EFFECT AND PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 WO 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
US-5441968-A Therapeutically active fluoro substituted benzimidazoles AKTIEBOLAGET HASSLE (SE) 1995-08-15 US disclosed
EP-0449935-B1 COMPOUND WITH GASTRIC ACID INHIBITORY EFFECT AND PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1994-08-31 EP disclosed
US-5049674-A Antiulcer AKTIEBOLAGET HASSLE (SE) 1991-09-17 US disclosed
WO-1991009028-A1 THERAPEUTICALLY ACTIVE FLUORO SUBSTITUTED BENZIMIDAZOLES, PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE Aktiebolaget Hässle (SE) 1991-06-27 WO disclosed
US-5025024-A Gastrointestinal inflammatory diseases; antiulcer agents AKTIEBOLAGET HASSLE (SE) 1991-06-18 US disclosed
US-5025024-A Gastrointestinal inflammatory diseases; antiulcer agents AKTIEBOLAGET HASSLE (SE) 1991-06-18 US disclosed
WO-1990006924-A1 COMPOUND WITH GASTRIC ACID INHIBITORY EFFECT AND PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 WO disclosed
WO-1990006924-A1 COMPOUND WITH GASTRIC ACID INHIBITORY EFFECT AND PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 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 NOS2 2004/4885NOS1 1323/4885CYP2C9 1120/4885

“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.