SCHEMBL3346592

SCHEMBL3346592

CCOc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCCn1ccnc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
STAT3 P40763 3/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 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
SCHEMBL3346591 1.00 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3348018 0.95 MEN1 (0.45) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3348014 0.95 MEN1 (0.45) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2966493 0.91 MAPK10 (0.46) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2966500 0.91 MAPK10 (0.46) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3347148 0.90 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3347139 0.90 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2962938 0.89 MEN1 (0.46) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2962935 0.89 MEN1 (0.46) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL3423434 0.89 MEN1 (0.49) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US claimed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 US claimed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US claimed
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP claimed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 WO claimed
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-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP 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 L3MBTL1 2961/4885MEN1 3675/4885KMT2A 1827/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX L3MBTL1 1695/4885MEN1 3685/4885KMT2A 2436/4885

“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.