SCHEMBL2967524

SCHEMBL2967524

COc1ccc(Cl)c([C@@H](C)CC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 4/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
TGFBR1 P36897 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NT5E P21589 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 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
SCHEMBL2967520 1.00 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL2955676 0.91 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL2969055 0.91 MAPT (0.49) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL2955673 0.91 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL2971754 0.91 MAPT (0.49) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL3420182 0.89 NPC1 (0.44) ALDH1A1POLBSMN1; SMN2MAPTGAA
SCHEMBL3420183 0.89 NPC1 (0.44) ALDH1A1POLBSMN1; SMN2MAPTGAA
SCHEMBL2971678 0.89 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL2971684 0.89 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MAPTMGAM
SCHEMBL3417203 0.86 NPSR1 (0.43) ALDH1A1POLBSMN1; SMN2MAPTGAA

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 ALDH1A1 632/4885POLB 2460/4885SMN1; SMN2 3283/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 ALDH1A1 1497/4885POLB 579/4885SMN1; SMN2 4845/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 615/4885POLB 2674/4885SMN1; SMN2 3422/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX ALDH1A1 576/4885POLB 1418/4885SMN1; 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.