SCHEMBL3349882

SCHEMBL3349882

N#Cc1c(NC(=O)C=Cc2ccco2)sc2c1CCN(C(=O)CCc1cccnc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 5/20 0.57
POLB P06746 4/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NR0B1 P51843 1/20 0.57
GAA P10253 2/20 0.47
GRM1 Q13255 3/20 0.44
MAPK10 P53779 2/20 0.42
MAPK9 P45984 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 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
SCHEMBL3349872 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3356432 0.93 MEN1 (0.59) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3356421 0.93 MEN1 (0.59) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3348840 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3348854 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3353511 0.88 MEN1 (0.53) MEN1KMT2APOLBGAAGRM1
SCHEMBL3353520 0.88 MEN1 (0.53) MEN1KMT2APOLBGAAGRM1
SCHEMBL13336334 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3352041 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL3351939 0.86 MEN1 (0.51) MEN1KMT2APOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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 (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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 MEN1 4646/4885KMT2A 2220/4885ALDH1A1 686/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MEN1 4610/4885KMT2A 2358/4885ALDH1A1 683/4885

“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.