SCHEMBL4166310

SCHEMBL4166310

Cc1nccn1CCOC(=O)N1CCc2c(sc(NC(=O)C[C@H](C)c3ccccc3)c2C#N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
STAT3 P40763 2/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
PDE4D Q08499 1/20 0.42
GRM1 Q13255 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL4166304 1.00 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3417591 0.93 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3417588 0.93 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3420481 0.92 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3420483 0.92 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3349102 0.92 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3349094 0.92 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3350189 0.91 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3350193 0.91 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3346618 0.91 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US claimed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 US claimed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 EP claimed
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER NYCOMED GMBH (DE) 2006-08-17 WO claimed

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-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 MEN1 2714/4885KMT2A 1982/4885L3MBTL1 2646/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 MEN1 3314/4885KMT2A 779/4885L3MBTL1 2293/4885

“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.