SCHEMBL3422299

SCHEMBL3422299

N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCCCN1CCOCC1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 13/20 0.56
KMT2A Q03164 11/20 0.56
MEN1 O00255 10/20 0.56
MAPT P10636 8/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HSD17B10 Q99714 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 5/20 0.53
GAA P10253 4/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
HPGD P15428 5/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK10 P53779 2/20 0.51

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
SCHEMBL3422755 0.96 L3MBTL1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3422307 0.91 ALDH1A1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3422759 0.88 ALDH1A1 (0.63) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3423007 0.88 ALDH1A1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3418539 0.88 ALDH1A1 (0.64) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3352441 0.87 L3MBTL1 (0.57) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL13166233 0.87 L3MBTL1 (0.57) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL13337749 0.87 ALDH1A1 (0.63) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3420914 0.86 ALDH1A1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3424204 0.86 ALDH1A1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1MAPT

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-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 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-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES RB1, MCL1, CCAR2 L3MBTL1 2296/4885ALDH1A1 935/4885KMT2A 2457/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 L3MBTL1 2539/4885ALDH1A1 412/4885KMT2A 2718/4885

“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.