SCHEMBL2891271

SCHEMBL2891271

CCOc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.43
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2891267 1.00 NPC1 (0.44) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2891410 0.93 MEN1 (0.52) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2891412 0.93 MEN1 (0.52) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2960578 0.90 KMT2A (0.43) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2960581 0.90 KMT2A (0.43) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2968663 0.89 POLB (0.48) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2968668 0.89 POLB (0.48) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2968603 0.89 KMT2A (0.43) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2968580 0.89 RAB9A (0.46) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL2968581 0.89 RAB9A (0.46) NPC1KMT2AMEN1MAPTPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 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
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 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 (5 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 NPC1 4582/4885KMT2A 2606/4885MEN1 4556/4885
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 NPC1 4740/4885KMT2A 2418/4885MEN1 4735/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 NPC1 4564/4885KMT2A 1827/4885MEN1 3675/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 NPC1 4618/4885KMT2A 2644/4885MEN1 4691/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX NPC1 4472/4885KMT2A 2436/4885MEN1 3685/4885

“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.