SCHEMBL3355979

SCHEMBL3355979

CCOc1cccc(C)c1C(C)CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 5/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 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
SCHEMBL3355986 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2965517 0.92 POLB (0.52) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2965518 0.92 POLB (0.52) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2891271 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2891267 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2966462 0.88 MAPT (0.47) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2966465 0.88 MAPT (0.47) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3423255 0.85 MAPT (0.47) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3423260 0.85 MAPT (0.47) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2968668 0.85 POLB (0.48) NPC1RAB9ASMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 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 (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-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 NPC1 4564/4885RAB9A 19/4885SMN1; SMN2 4845/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX NPC1 4472/4885RAB9A 1629/4885SMN1; 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.