SCHEMBL3422774

SCHEMBL3422774

COc1ccc(OC(=O)N2CCc3c(sc(NC(=O)c4ccccc4)c3C#N)C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
MAPT P10636 7/20 0.75
MEN1 O00255 7/20 0.75
KMT2A Q03164 7/20 0.75
KDM4E B2RXH2 4/20 0.75
STAT3 P40763 3/20 0.62
GRM5 P41594 3/20 0.61
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 4/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
MAPK10 P53779 2/20 0.56
GAA P10253 3/20 0.55
BLM P54132 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL3423513 0.94 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3420143 0.90 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3420284 0.86 MAPT (0.80) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13337753 0.85 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3419372 0.85 ALDH1A1 (0.74) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13337747 0.85 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3421633 0.84 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3421336 0.84 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3418041 0.84 ALDH1A1 (0.78) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3420092 0.84 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 935/4885MAPT 1694/4885MEN1 3560/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 ALDH1A1 412/4885MAPT 2055/4885MEN1 3291/4885

“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.