SCHEMBL23116459

SCHEMBL23116459

O=C(O)NCC(C(=O)Nc1ccc2cnsc2c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.60
HDAC1 Q13547 3/20 0.47
ROCK1 Q13464 2/20 0.47
ALDH1A1 P00352 2/20 0.43
BAZ1A Q9NRL2 1/20 0.42
PRMT3 O60678 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL23116458 1.00 ROCK2 (0.60) ROCK2HDAC1ROCK1ALDH1A1BAZ1A
SCHEMBL21359076 0.87 ROCK2 (0.53) ROCK2HDAC1ROCK1PRMT3
SCHEMBL21376021 0.86 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL23116444 0.86 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL21376018 0.86 ROCK2 (0.52) ROCK2HDAC1ROCK1ALDH1A1BAZ1A
SCHEMBL21359027 0.81 ROCK2 (0.58) ROCK2HDAC1ROCK1
SCHEMBL23501352 0.78 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL23116449 0.76 MEN1 (0.49) ROCK2ALDH1A1MEN1LMNAMAPT
SCHEMBL23116448 0.76 MEN1 (0.49) ROCK2ALDH1A1MEN1LMNAMAPT
SCHEMBL21376079 0.76 ROCK2 (0.60) ROCK2HDAC1ROCK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 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-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 ROCK2 839/4885HDAC1 1276/4885ROCK1 731/4885

“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.