SCHEMBL3351585

SCHEMBL3351585

Cc1cccc(/C=C\C(=O)Nc2sc3c(c2C#N)CCNC3)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.52
ALDH1A1 P00352 6/20 0.52
POLB P06746 4/20 0.52
HPGD P15428 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NR0B1 P51843 1/20 0.50
GAA P10253 2/20 0.41
MAPK10 P53779 1/20 0.41
THRB P10828 1/20 0.40
PTPN5 P54829 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL3351589 1.00 TGFBR1 (0.52) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3356857 0.93 TGFBR1 (0.54) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3356860 0.93 TGFBR1 (0.54) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3357190 0.91 TGFBR1 (0.51) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3357191 0.91 TGFBR1 (0.51) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3353278 0.90 TGFBR1 (0.56) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3353276 0.90 TGFBR1 (0.56) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3354077 0.89 TGFBR1 (0.53) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3354080 0.89 TGFBR1 (0.53) TGFBR1ALDH1A1POLBHPGDMEN1
SCHEMBL3348326 0.87 TGFBR1 (0.47) TGFBR1ALDH1A1POLBHPGDMEN1

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 5 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

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.