SCHEMBL3423201

SCHEMBL3423201

Cc1ccc(Cl)c(CCC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3423386 0.91 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2960803 0.89 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2893922 0.88 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3417572 0.87 LMNA (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2970421 0.86 NPC1 (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3423237 0.84 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3419028 0.84 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3423200 0.84 NPC1 (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3419042 0.83 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3420182 0.82 NPC1 (0.44) KMT2AMEN1ALDH1A1MAPTLMNA

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 KMT2A 1982/4885MEN1 2714/4885ALDH1A1 546/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 KMT2A 779/4885MEN1 3314/4885ALDH1A1 1514/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 KMT2A 660/4885MEN1 2581/4885ALDH1A1 467/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 KMT2A 2644/4885MEN1 4691/4885ALDH1A1 615/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 KMT2A 2418/4885MEN1 4735/4885ALDH1A1 632/4885

“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.