SCHEMBL6153413

SCHEMBL6153413

COc1cccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.62
CSNK2B P67870 1/20 0.62
CSNK2A1 P68400 1/20 0.62
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
ABCG2 Q9UNQ0 5/20 0.56
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
PKM P14618 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
KEAP1 Q14145 1/20 0.49

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
SCHEMBL6155483 0.96 CSNK2A2 (0.59) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6160095 0.88 ROCK2 (0.69) CSNK2A1ROCK2ROCK1ABCG2MGAM
SCHEMBL6157313 0.88 ABCG2 (0.55) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6153808 0.85 ROCK2 (0.62) CSNK2A1ROCK2ROCK1MGAMGAA
SCHEMBL6156315 0.84 ALDH1A1 (0.54) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6153541 0.84 ROCK2 (0.56) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6154902 0.83 ROCK2 (0.49) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6154247 0.83 ROCK2 (0.60) CSNK2A1ROCK2ROCK1ABCG2MGAM
SCHEMBL6153975 0.83 ROCK2 (0.62) CSNK2A1ROCK2ROCK1MGAMGAA
SCHEMBL6157444 0.82 ROCK2 (0.67) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CSNK2A2 1209/4885CSNK2B 1363/4885CSNK2A1 1465/4885

“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.