SCHEMBL3353480

SCHEMBL3353480

CCOc1ccccc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCc1ccncc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.43
STAT3 P40763 2/20 0.43
GRM1 Q13255 2/20 0.42
TGFBR1 P36897 2/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL13336319 1.00 MAPT (0.50) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL3352356 0.93 MEN1 (0.51) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL13166264 0.93 MEN1 (0.51) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL13166367 0.93 MEN1 (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL3351911 0.93 MEN1 (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL3353592 0.91 L3MBTL1 (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL13166141 0.91 L3MBTL1 (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL13166368 0.90 MAPT (0.42) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL13166366 0.90 L3MBTL1 (0.47) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL3353602 0.90 L3MBTL1 (0.47) MAPTMEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
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
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 WO 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 MAPT 1150/4885MEN1 4646/4885KMT2A 2220/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MAPT 1192/4885MEN1 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.