SCHEMBL2960011

SCHEMBL2960011

COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCO)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK10 P53779 2/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ GRM5 P41594 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ GRM1 Q13255 1/20 0.44

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
SCHEMBL2960007 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2971739 0.94 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2971742 0.94 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2971761 0.94 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2971755 0.94 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2963638 0.94 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2963642 0.94 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4055771 0.90 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4049161 0.90 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3349749 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 — — US claimed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 — — US claimed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 — — US claimed
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-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 — — US disclosed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 — — EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 — — 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885ALDH1A1 632/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885ALDH1A1 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.

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