SCHEMBL3351997

SCHEMBL3351997

N#Cc1c(NC(=O)C=Cc2cccnc2)sc2c1CCN(C(=O)OCc1cccnc1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
POLB P06746 2/20 0.49
GRM1 Q13255 5/20 0.47
TGFBR1 P36897 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STAT3 P40763 3/20 0.43

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
SCHEMBL13166275 1.00 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL13166266 0.96 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3354361 0.96 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL13166284 0.95 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3357043 0.95 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL13166283 0.93 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3349046 0.93 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL13166055 0.92 L3MBTL1 (0.54) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3353316 0.91 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL13166281 0.91 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1GAA

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.