SCHEMBL6155087

SCHEMBL6155087

O=[N+]([O-])c1cccc(-c2cnc(Nc3cccc(Br)c3)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
KDR P35968 4/20 0.51
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
EGFR P00533 5/20 0.48
CSNK2A1 P68400 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PTGES O14684 1/20 0.45

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
SCHEMBL4077801 0.83 ABL1 (0.64) KMOKDRMAPK13MAPK12MAPK11
Bromide SCHEMBL4079422 0.82 ABL1 (0.62) KMOKDRMAPK13MAPK12MAPK11
SCHEMBL6153975 0.81 ROCK2 (0.62) EGFRCSNK2A1MEN1ALDH1A1MAPT
SCHEMBL6155763 0.80 EGFR (0.48) EGFRCSNK2A1MEN1ALDH1A1MAPT
SCHEMBL6154673 0.80 EGFR (0.50) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL20379651 0.77 KDR (0.68) KMOKDRCSNK2A1MEN1ALDH1A1
SCHEMBL3605321 0.73 KDR (0.58) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL6286786 0.73 BAZ1A (0.65) KDRMEN1ALDH1A1MAPTKMT2A
SCHEMBL20500567 0.72 KMO (0.54) KMOMEN1ALDH1A1MAPTKMT2A
SCHEMBL6160095 0.72 ROCK2 (0.69) CSNK2A1MEN1ALDH1A1MAPTKMT2A

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 claimed

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 KMO 2929/4885KDR 2876/4885MAPK13 2118/4885

“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.