SCHEMBL211457

SCHEMBL211457

COc1cc2nc(S)[nH]c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 7/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
EHMT2 Q96KQ7 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PDE10A Q9Y233 1/20 0.43
F10 P00742 1/20 0.43
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
NQO2 P16083 1/20 0.42
PGK1 P00558 1/20 0.42
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9531757 0.87 ATP4A (0.48) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9455942 0.87 AMY1A (0.47) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10834070 0.86 EGLN1 (0.47) AMY1AEGLN1PDE3BPDE3APGK1
SCHEMBL10834064 0.86 PGK1 (0.46) AMY1AEGLN1NQO2PGK1MEN1
SCHEMBL8428958 0.86 AMY1A (0.37) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6476374 0.80 GAA (0.42) EGLN1PDE3BPDE3AKMT2A
SCHEMBL2272761 0.78 AMY1A (0.50) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9419443 0.77 FABP6 (0.58) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1191538 0.77 AMY1A (0.46) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9530579 0.77 ATP4A (0.40)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020116742-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF 주식회사 트리뉴로 2020-06-11 WO claimed
WO-2020116742-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF 주식회사 트리뉴로 2020-06-11 WO disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
WO-2014160405-A1 COMPOUNDS, COMPOSITIONS COMPRISING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-10-02 WO disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 US disclosed
EP-0213474-B1 SUBSTITUTED TOLUIDINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS GASTRIC SECRETION INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US disclosed
EP-0246774-A1 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-25 EP disclosed
US-4687775-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1987-08-18 US disclosed
EP-0213474-A2 Substituted toluidines, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-11 EP disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 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 (4 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 AMY1A 3551/4885GRIN2D 4086/4885GRIN3B 3872/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 AMY1A 3999/4885GRIN2D 4650/4885GRIN3B 4053/4885
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 AMY1A 1441/4885GRIN2D 4140/4885GRIN3B 4066/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 AMY1A 4085/4885GRIN2D 4657/4885GRIN3B 4128/4885

“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.