SCHEMBL3418604

SCHEMBL3418604

CC(CC(=O)Nc1sc2c(c1C#N)CCNC2)c1ccoc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MITF O75030 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SENP7 Q9BQF6 2/20 0.40
CASP3 P42574 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
SCHEMBL3418606 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL2887690 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL2887687 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL3422988 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL3420066 0.85 MAPK10 (0.48) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL3420062 0.85 MAPK10 (0.48) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL3422983 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL2887979 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL2887977 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL3420625 0.83 RAB9A (0.51) ALDH1A1SMN1; SMN2RAB9APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 US disclosed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP disclosed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS 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 (5 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-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 ALDH1A1 546/4885SMN1; SMN2 2960/4885RAB9A 1361/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 ALDH1A1 1514/4885SMN1; SMN2 4393/4885RAB9A 908/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 ALDH1A1 467/4885SMN1; SMN2 4289/4885RAB9A 1252/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 615/4885SMN1; SMN2 3422/4885RAB9A 1221/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 632/4885SMN1; SMN2 3283/4885RAB9A 1361/4885

“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.