SCHEMBL2966462

SCHEMBL2966462

CCOc1c(C)cccc1C(C)CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 5/20 0.43
THRB P10828 1/20 0.41
MEN1 O00255 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
SCHEMBL2966465 1.00 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2962271 0.93 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2962275 0.93 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2968668 0.90 POLB (0.48) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2968663 0.90 POLB (0.48) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3423255 0.89 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3423260 0.89 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3418897 0.89 RAB9A (0.45) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3418900 0.89 RAB9A (0.45) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3355986 0.88 NPC1 (0.45) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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 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 (4 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 MAPT 1166/4885RAB9A 1361/4885NPC1 4740/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 MAPT 3736/4885RAB9A 19/4885NPC1 4564/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPT 1276/4885RAB9A 1221/4885NPC1 4618/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX MAPT 2223/4885RAB9A 1629/4885NPC1 4472/4885

“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.