SCHEMBL6485697

SCHEMBL6485697

Cc1cc(C)c2nc(S)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
HSD17B10 Q99714 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ESR1 P03372 1/20 0.38
RPS6KA3 P51812 1/20 0.36
SSTR2 P30874 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
DHODH Q02127 2/20 0.32
NUDT1 P36639 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
IDH2 P48735 1/20 0.31

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
SCHEMBL10146528 0.79 PARP1 (0.56) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL8872733 0.76 PARP1 (0.41) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL14175140 0.76 PARP1 (0.41) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL4283192 0.76 ESR1 (0.41) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL5679402 0.76 NUDT1 (0.51) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL14958067 0.76 MEN1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10807592 0.74 GAA (0.35) HSD17B10RPS6KA3KDM4EALDH1A1HTT
SCHEMBL4363219 0.73 GAA (0.43) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL10248315 0.73 PARP1 (0.39) PARP1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL20687495 0.72 MGAM (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US disclosed
EP-0242341-A1 Benzimidazoles, process for their preparation and preparations containing same Aktiebolaget Hässle (SE) 1987-10-21 EP disclosed
WO-1987005021-A1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE Aktiebolaget Hässle (SE) 1987-08-27 WO disclosed
US-4508905-A GASTRIC ACID SECRETION INHIBITORS AKTIEBOLAGET HASSLE (SE) 1985-04-02 US disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US disclosed
US-4337257-A Gastric acid secretion inhibiting substituted 2-(2-benzimidazolyl)-pyridines, their preparation, pharmaceutical preparations containing same, and method for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1982-06-29 US disclosed
EP-0005129-B1 SUBSTITUTED PYRIDYLSULFINYLBENZIMIDAZOLES HAVING GASTRIC ACID SECRETION PROPERTIES, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PREPARATION Aktiebolaget Hässle (SE) 1981-04-29 EP disclosed
US-4255431-A Gastric acid secretion inhibiting substituted 2-(2-benzimidazolyl)-pyridines, pharmaceutical preparations containing same, and method for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1981-03-10 US disclosed
EP-0005129-A1 Substituted pyridylsulfinylbenzimidazoles having gastric acid secretion properties, pharmaceutical preparations containing same, and intermediates for their preparation Aktiebolaget Hässle (SE) 1979-10-31 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 PARP1 2912/4885HSD17B10 954/4885GRIN2D 4140/4885

“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.