SCHEMBL13166158

SCHEMBL13166158

CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3-c3ccccc3)c2C#N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
HSD17B10 Q99714 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 4/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
PDE4D Q08499 1/20 0.47
GRM1 Q13255 3/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3355502 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL3358433 0.91 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL13166177 0.91 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL13166066 0.90 L3MBTL1 (0.57) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL3351842 0.90 L3MBTL1 (0.57) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL3353137 0.90 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL13166042 0.90 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL3353421 0.90 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL13166176 0.90 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL3352242 0.90 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 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 (2 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 KMT2A 2220/4885MEN1 4646/4885ALDH1A1 686/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD KMT2A 2358/4885MEN1 4610/4885ALDH1A1 683/4885

“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.