SCHEMBL9708898

SCHEMBL9708898

COc1c(C)cnc(C[S+]([O-])c2nc3ccccc3n2C)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
AGXT P21549 1/20 0.40
PDE10A Q9Y233 1/20 0.39
SHMT2 P34897 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.36
HSP90AA1 P07900 2/20 0.36
BRS3 P32247 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
SCHEMBL5197626 0.88 KMT2A (0.41) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL4958916 0.88 KMT2A (0.41) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL9812452 0.88 KMT2A (0.41) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL13019030 0.87 AGXT (0.38) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL13136704 0.87 PKM (0.42) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL12021142 0.86 BRS3 (0.46) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL21029237 0.86 KMT2A (0.45) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL14344286 0.86 KMT2A (0.45) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL2592828 0.86 KMT2A (0.45) WDR5KMT2ARAB9ANPC1AGXT
SCHEMBL9446025 0.86 KMT2A (0.40) WDR5KMT2AAGXTPDE10ASHMT2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298205-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CONDITIONS RELATED TO GASTRIC ACID SECRETION SHEN JIE 2010-11-25 US disclosed
US-20100298205-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CONDITIONS RELATED TO GASTRIC ACID SECRETION SHEN JIE 2010-11-25 US disclosed
US-20100222390-A1 Methods and Compositions for the Intravenous Administration of Compounds Related to Proton Pump Inhibitors ALEVIUM PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
US-20100222390-A1 Methods and Compositions for the Intravenous Administration of Compounds Related to Proton Pump Inhibitors ALEVIUM PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
EP-1020460-B1 The sodium salt of the (-)-enantiomer of omeprazole ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20090048302-A1 Methods and compositions for the treatment of conditions related to gastric acid secretion ALLERGAN, INC. (US) 2009-02-19 US disclosed
US-20090048302-A1 Methods and compositions for the treatment of conditions related to gastric acid secretion ALLERGAN, INC. (US) 2009-02-19 US disclosed
US-20070161679-A1 Method and compositions for the intravenous administration of compounds related to proton pump inhibitors ALLERGAN, INC. (US) 2007-07-12 US disclosed
US-20070161679-A1 Method and compositions for the intravenous administration of compounds related to proton pump inhibitors ALLERGAN, INC. (US) 2007-07-12 US disclosed
US-20070060621-A1 Methods and compositions for the administration of prodrugs of proton pump inhibitors HUGHES PATRICK M 2007-03-15 US disclosed
US-20070060621-A1 Methods and compositions for the administration of prodrugs of proton pump inhibitors HUGHES PATRICK M 2007-03-15 US disclosed
EP-0233284-B1 PHARMACOLOGICAL COMPOUNDS Aktiebolaget Hässle (SE) 1992-08-19 EP disclosed
US-5021433-A 2-(pryidylmethylthio) benzimidazole derivatives; antisecretory antiulcer agents AKTIEBOLAGET HASSLE (SE) 1991-06-04 US disclosed
EP-0221041-A2 Benzimidazole derivatives, process for their preparation and their pharmaceutical use Aktiebolaget Hässle (SE) 1987-05-06 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 (5 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-20070060621-A1 Methods and compositions for the administration of prodrugs of proton pump inhibitors SI, PPA1, PHPT1 WDR5 4477/4885KMT2A 2927/4885RAB9A 876/4885
US-20100298205-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CONDITIONS RELATED TO GASTRIC ACID SECRETION ABCB11, SLC10A2, SLC47A2 WDR5 4307/4885KMT2A 4404/4885RAB9A 1019/4885
US-20100222390-A1 Methods and Compositions for the Intravenous Administration of Compounds Related to Proton Pump Inhibitors SI, ATP6V1G1, ATP6V1H WDR5 4663/4885KMT2A 2885/4885RAB9A 670/4885
US-20070161679-A1 Method and compositions for the intravenous administration of compounds related to proton pump inhibitors SI, ATP6V1G1, ATP6V1H WDR5 4634/4885KMT2A 2966/4885RAB9A 690/4885
US-20090048302-A1 Methods and compositions for the treatment of conditions related to gastric acid secretion ABCB11, SLC10A2, SLC47A2 WDR5 4307/4885KMT2A 4404/4885RAB9A 1019/4885

“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.