SCHEMBL3348346

SCHEMBL3348346

CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccc(C)o3)c2C#N)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
POLB P06746 4/20 0.68
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
MAPT P10636 8/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 4/20 0.53
GAA P10253 3/20 0.53
STAT3 P40763 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
FLT3 P36888 1/20 0.48
NR0B1 P51843 1/20 0.48

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
SCHEMBL13166159 1.00 ALDH1A1 (0.68) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL13166168 0.92 L3MBTL1 (0.57) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL3352268 0.92 L3MBTL1 (0.57) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL13166171 0.92 L3MBTL1 (0.57) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL3353201 0.92 L3MBTL1 (0.57) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL4620416 0.90 ALDH1A1 (0.72) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL3353487 0.89 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL13166187 0.89 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL3352423 0.88 MEN1 (0.65) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL13166059 0.88 MEN1 (0.65) ALDH1A1POLBL3MBTL1MEN1KMT2A

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 7 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

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 ALDH1A1 686/4885POLB 2460/4885L3MBTL1 2029/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD ALDH1A1 683/4885POLB 2428/4885L3MBTL1 2161/4885

“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.