SCHEMBL3352577

SCHEMBL3352577

CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)c2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
CASP6 P55212 1/20 0.47
PAX8 Q06710 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL13166090 1.00 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3356365 0.91 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13166086 0.91 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4606164 0.90 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13166192 0.90 L3MBTL1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13166074 0.90 L3MBTL1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3355782 0.90 L3MBTL1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3357091 0.90 L3MBTL1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3356495 0.88 L3MBTL1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13166080 0.88 L3MBTL1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 MEN1 4646/4885KMT2A 2220/4885MAPT 1150/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MEN1 4610/4885KMT2A 2358/4885MAPT 1192/4885

“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.