SCHEMBL3420409

SCHEMBL3420409

CC(C)COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C#N)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
MAPT P10636 8/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 3/20 0.63
HSD17B10 Q99714 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
TP53 P04637 1/20 0.63
TSHR P16473 1/20 0.63
KDM4E B2RXH2 4/20 0.61
HPGD P15428 5/20 0.58
GAA P10253 4/20 0.58
RAB9A P51151 3/20 0.58
BLM P54132 1/20 0.58
NPC1 O15118 2/20 0.57
MAPK10 P53779 2/20 0.57
THRB P10828 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL3419372 0.92 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3422330 0.89 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3420588 0.89 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13337747 0.89 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3420143 0.89 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3421903 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3421336 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3423514 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3420914 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3418539 0.88 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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 8 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-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 ALDH1A1 935/4885MEN1 3560/4885KMT2A 2457/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 ALDH1A1 412/4885MEN1 3291/4885KMT2A 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.