SCHEMBL4768940

SCHEMBL4768940

COc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cc1cccnc1)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GRM1 Q13255 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 2/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL4776293 0.93 MEN1 (0.45) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL4775582 0.92 MEN1 (0.50) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL2891839 0.91 GRM1 (0.47) MEN1KMT2AGRM1ALDH1A1MAPT
SCHEMBL2888242 0.89 MEN1 (0.44) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL4960146 0.88 MEN1 (0.53) MEN1KMT2AGRM1L3MBTL1MAPT
SCHEMBL13239798 0.88 MEN1 (0.46) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL4773237 0.87 MEN1 (0.49) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL4769342 0.87 MEN1 (0.45) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL4773298 0.86 MEN1 (0.52) MEN1KMT2AGRM1L3MBTL1ALDH1A1
SCHEMBL4766247 0.86 MEN1 (0.48) MEN1KMT2AGRM1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP claimed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885GRM1 3106/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885GRM1 3125/4885

“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.