SCHEMBL1209025

SCHEMBL1209025

Cc1oncc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 10/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALOX15 P16050 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1209641 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL14293234 0.90 HPGD (0.36) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1208832 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1208282 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1209532 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1208573 0.87 MAPT (0.43) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1207033 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1209248 0.86 MAPT (0.41) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1208817 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL1208984 0.85 MAPT (0.44) ALDH1A1KDM4EHSD17B10HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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 (1 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD ALDH1A1 316/4885KDM4E 2054/4885HSD17B10 1786/4885

“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.