SCHEMBL2968518

SCHEMBL2968518

CCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2891345 0.91 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3419921 0.89 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3423200 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3419134 0.86 GRM1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3417612 0.85 LMNA (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2893846 0.85 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2954776 0.83 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2954772 0.83 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2895838 0.83 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2968735 0.82 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 NPC1 4740/4885RAB9A 1361/4885SMN1; SMN2 3283/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 NPC1 4564/4885RAB9A 19/4885SMN1; SMN2 4845/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 NPC1 4618/4885RAB9A 1221/4885SMN1; SMN2 3422/4885
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.