SCHEMBL1037708

SCHEMBL1037708

COC(=O)c1ccsc1NC(C)=O.c1cc2ccc1-2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PTK2 Q05397 1/20 0.61
KDM4E B2RXH2 3/20 0.60
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK10 P53779 2/20 0.51
ALOX12 P18054 1/20 0.51
MAPT P10636 1/20 0.49

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
SCHEMBL11578842 0.95 KMT2A (0.69) KMT2AMEN1SMN1; SMN2PTK2KDM4E
SCHEMBL13789666 0.81 KMT2A (0.63) KMT2AMEN1SMN1; SMN2PTK2KDM4E
SCHEMBL4066836 0.80 KMT2A (0.67) KMT2AMEN1SMN1; SMN2PTK2KDM4E
SCHEMBL11638233 0.79 PTK2 (0.59) KMT2AMEN1SMN1; SMN2PTK2KDM4E
SCHEMBL10202041 0.79 PTK2 (0.73) KMT2AMEN1SMN1; SMN2PTK2KDM4E
SCHEMBL17010936 0.78 PTGS1 (0.53) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL16838134 0.78 KMT2A (0.63) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL1704195 0.78 PTK2 (0.71) KMT2AMEN1SMN1; SMN2PTK2KDM4E
SCHEMBL7930548 0.77 KMT2A (0.63) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL3702839 0.77 KMT2A (0.68) KMT2AMEN1SMN1; SMN2KDM4EPOLB

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 6 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

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 KMT2A 2788/4885MEN1 3861/4885SMN1; SMN2 4293/4885

“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.