SCHEMBL3352041

SCHEMBL3352041

N#Cc1c(NC(=O)C=Cc2ccco2)sc2c1CCN(C(=O)OCc1cccnc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
POLB P06746 3/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 1/20 0.57
NR0B1 P51843 1/20 0.57
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
GRM1 Q13255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13336334 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13336338 0.92 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3356343 0.92 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13166372 0.90 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3356432 0.89 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3356421 0.89 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3351997 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13166275 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13184987 0.89 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3349882 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; 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 2220/4885ALDH1A1 686/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MEN1 4610/4885KMT2A 2358/4885ALDH1A1 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.