SCHEMBL21914879

SCHEMBL21914879

Cc1sc(NC=S)c(C(=O)c2ccccc2Cl)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.60
LMNA P02545 6/20 0.60
GAA P10253 2/20 0.60
HPGD P15428 7/20 0.46
MAPT P10636 10/20 0.45
PLA2G1B P04054 1/20 0.45
MAPK1 P28482 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21915451 0.82 SMN1; SMN2 (0.46) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL9043427 0.81 ALDH1A1 (0.53) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL9043426 0.81 ALDH1A1 (0.53) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL23320326 0.80 ALDH1A1 (0.56) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL23320112 0.79 ALDH1A1 (0.50) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL21914759 0.76 ALDH1A1 (0.58) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL8319118 0.75 ALDH1A1 (1.00) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL21914762 0.74 MAPT (0.52) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL23320632 0.73 MAPT (0.48) ALDH1A1LMNAHPGDMAPTPLA2G1B
SCHEMBL21847256 0.73 ALDH1A1 (0.61) ALDH1A1LMNAGAAHPGDMAPT

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 3 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
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 EP 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 3279/4885LMNA 2211/4885GAA 4541/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 ALDH1A1 3279/4885LMNA 2211/4885GAA 4541/4885

“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.