SCHEMBL23320109

SCHEMBL23320109

COc1cccc(C(=O)c2c(NC=S)sc(C)c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 6/20 0.46
STS P08842 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PARP1 P09874 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CNR2 P34972 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL23320632 0.86 MAPT (0.48) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL23320112 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL21847272 0.79 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSTSLMNA
SCHEMBL30893851 0.79 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSTSLMNA
SCHEMBL21915451 0.78 SMN1; SMN2 (0.46) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL21847238 0.76 CES2 (0.46) ALDH1A1MAPTHPGDSTSLMNA
SCHEMBL30893837 0.76 CES2 (0.46) ALDH1A1MAPTHPGDSTSLMNA
SCHEMBL23320326 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL21914762 0.72 MAPT (0.52) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL21914879 0.72 ALDH1A1 (0.60) ALDH1A1MAPTHPGDLMNAMAPK1

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-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 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-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE BRD4, BRD3, BRD2 ALDH1A1 3279/4885MAPT 1675/4885HPGD 3500/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 ALDH1A1 3279/4885MAPT 1675/4885HPGD 3500/4885

“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.