SCHEMBL1036962

SCHEMBL1036962

O=c1[nH]c2cscc2c(O)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
KDM4E B2RXH2 1/20 0.57
FASN P49327 4/20 0.53
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48

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
SCHEMBL4455323 0.80 MAPT (1.00) MAPTKDM4EFASNGRIN2DGRIN3B
SCHEMBL1077245 0.75 MAPT (0.58) MAPTKDM4E
SCHEMBL8783774 0.74 FASN (0.74) MAPTKDM4EFASNGRIN2DGRIN3B
SCHEMBL4460818 0.74 MAPT (0.65) MAPTKDM4EFASN
SCHEMBL1039795 0.73 MAPT (0.59) MAPTKDM4EFASNGRIN2DGRIN3B
SCHEMBL14449851 0.73 KDM4E (0.70) MAPTKDM4EFASNGRIN2DGRIN3B
SCHEMBL15648185 0.73 KDM4E (0.70) MAPTKDM4EFASN
SCHEMBL5330425 0.73 KDM4E (0.70) MAPTKDM4EFASN
SCHEMBL8783594 0.73 MAPT (0.68) MAPTKDM4EFASN
SCHEMBL1612505 0.73 KDM4E (0.79) MAPTKDM4E

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
EP-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
EP-1915150-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-30 EP disclosed
WO-2007019914-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 EP disclosed
US-5602144-A ADMINISTERING FOR TREATMENT OF CEREBRAL ISCHAEMIA OR SCHIZOPHRENIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 US disclosed
EP-0717044-A1 Thienopyridone derivatives, their preparation and their use as NMDA-receptor antagonists MERCK PATENT GmbH (DE) 1996-06-19 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-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PRKAR2A, PRKAR2B, PRKAB1 MAPT 2498/4885KDM4E 2104/4885FASN 1086/4885

“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.