SCHEMBL2968602

SCHEMBL2968602

COc1ccc(C)cc1C(C)CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2968605 1.00 POLB (0.46) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL2968580 0.93 RAB9A (0.46) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL2968581 0.93 RAB9A (0.46) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL2955676 0.92 ALDH1A1 (0.49) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL2955673 0.92 ALDH1A1 (0.49) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL3419023 0.90 RAB9A (0.47) POLBALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL2891410 0.90 MEN1 (0.52) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL2891412 0.90 MEN1 (0.52) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL3419020 0.90 RAB9A (0.47) POLBALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL2969169 0.88 POLB (0.50) POLBALDH1A1SMN1; SMN2L3MBTL1NPC1

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 9 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-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 (3 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 POLB 2460/4885ALDH1A1 632/4885SMN1; SMN2 3283/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 POLB 2674/4885ALDH1A1 615/4885SMN1; SMN2 3422/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX POLB 1418/4885ALDH1A1 576/4885SMN1; SMN2 2882/4885

“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.