SCHEMBL3354080

SCHEMBL3354080

COc1c(C)cccc1C=CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.53
ALDH1A1 P00352 6/20 0.49
POLB P06746 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
NR0B1 P51843 1/20 0.47
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL3354077 1.00 TGFBR1 (0.53) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3358283 0.91 TGFBR1 (0.56) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3358280 0.91 TGFBR1 (0.56) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3348326 0.91 TGFBR1 (0.47) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3348329 0.91 TGFBR1 (0.47) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3351589 0.89 TGFBR1 (0.52) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3351585 0.89 TGFBR1 (0.52) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3356857 0.89 TGFBR1 (0.54) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3356860 0.89 TGFBR1 (0.54) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3353278 0.89 TGFBR1 (0.56) TGFBR1ALDH1A1POLBSMN1; SMN2NPC1

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 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 TGFBR1 1266/4885ALDH1A1 686/4885POLB 2460/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885ALDH1A1 683/4885POLB 2428/4885

“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.