SCHEMBL2954776

SCHEMBL2954776

CCOc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 6/20 0.45
POLB P06746 4/20 0.45
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 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
SCHEMBL2954772 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2893552 0.92 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL2893549 0.92 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3415355 0.87 L3MBTL1 (0.43) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3415358 0.87 L3MBTL1 (0.43) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3420630 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3420625 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3421574 0.86 LMNA (0.43) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3421573 0.86 LMNA (0.43) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL3422162 0.86 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTPOLB

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-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
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 RAB9A 1361/4885NPC1 4740/4885SMN1; SMN2 3283/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 RAB9A 19/4885NPC1 4564/4885SMN1; SMN2 4845/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX RAB9A 1629/4885NPC1 4472/4885SMN1; 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.