SCHEMBL4766531

SCHEMBL4766531

COc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCn1ccnc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.45
MAPK9 P45984 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 1/20 0.42
STAT3 P40763 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 6/20 0.40
NPC1 O15118 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
SCHEMBL4775544 0.94 ALDH1A1 (0.43) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL4961780 0.89 MAPK10 (0.48) MAPK10MAPK9MEN1KMT2ASTAT3
SCHEMBL4775113 0.88 MAPK10 (0.48) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL4769342 0.88 MEN1 (0.45) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL4775963 0.87 ALDH1A1 (0.51) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL4776547 0.87 ALDH1A1 (0.49) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL13239800 0.87 MAPK10 (0.44) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL4773237 0.86 MEN1 (0.49) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL13265463 0.86 MAPK10 (0.46) MAPK10MAPK9ALDH1A1MAPTSMN1; SMN2
SCHEMBL4775582 0.86 MEN1 (0.50) MAPK10MAPK9ALDH1A1MAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP claimed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 MAPK10 1331/4885MAPK9 2360/4885ALDH1A1 632/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPK10 1273/4885MAPK9 2218/4885ALDH1A1 615/4885

“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.