SCHEMBL13166200

SCHEMBL13166200

CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccncc3)c2C#N)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
ALDH1A1 P00352 8/20 0.56
MAPT P10636 5/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 4/20 0.54
GAA P10253 3/20 0.54
TGFBR1 P36897 1/20 0.51
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 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
SCHEMBL3353633 1.00 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13166028 0.91 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13166088 0.91 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3353182 0.91 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3357495 0.91 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3353184 0.91 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3352445 0.91 TGFBR1 (0.64) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13166191 0.91 TGFBR1 (0.64) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13166055 0.90 L3MBTL1 (0.54) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13166076 0.90 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AALDH1A1MAPT

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
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-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

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 L3MBTL1 2029/4885MEN1 4646/4885KMT2A 2220/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD L3MBTL1 2161/4885MEN1 4610/4885KMT2A 2358/4885

“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.