SCHEMBL3354036

SCHEMBL3354036

CCOc1c(/C=C\C(=O)Nc2sc3c(c2C#N)CCNC3)cccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.53
POLB P06746 5/20 0.47
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NR0B1 P51843 1/20 0.43
ACMSD Q8TDX5 1/20 0.40
PTPN5 P54829 1/20 0.40
THRB P10828 1/20 0.40
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
SCHEMBL3354040 1.00 TGFBR1 (0.53) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3358280 0.93 TGFBR1 (0.56) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3358283 0.93 TGFBR1 (0.56) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3348326 0.91 TGFBR1 (0.47) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3348329 0.91 TGFBR1 (0.47) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3349068 0.90 TGFBR1 (0.49) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3349073 0.90 TGFBR1 (0.49) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3353276 0.89 TGFBR1 (0.56) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3353278 0.89 TGFBR1 (0.56) TGFBR1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3352862 0.89 TGFBR1 (0.60) TGFBR1POLBMAPTALDH1A1SMN1; 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 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 1266/4885POLB 2460/4885MAPT 1150/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885POLB 2428/4885MAPT 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.