SCHEMBL6154673

SCHEMBL6154673

O=[N+]([O-])c1ccccc1-c1cnc(Nc2cccc(Br)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.50
KDR P35968 2/20 0.45
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
FBP1 P09467 1/20 0.40
LIMK1 P53667 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6155087 0.80 KMO (0.56) EGFRKDRMAPK13MAPK12MAPK11
SCHEMBL3603733 0.74 MEN1 (0.43) KDRATG4BLIMK1GAAMAPT
SCHEMBL4063056 0.72 TDP1 (0.68) EGFRMAPK13MAPK12MAPK11MAPK14
SCHEMBL30791403 0.70 EGFR (0.65) EGFRFBP1MAPT
SCHEMBL645368 0.70 EGFR (0.65) EGFRFBP1MAPT
SCHEMBL219638 0.69 MGAM (0.57) MAPK14LIMK1GAAMAPT
SCHEMBL1663676 0.68 EGFR (0.54) EGFRPTGESALOX5FBP1GAA
SCHEMBL1804664 0.68 MEN1 (0.68) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL9788014 0.68 ADORA3 (0.53) EGFRPTGESALOX5MAPT
SCHEMBL2331528 0.67 ALDH1A1 (0.65) EGFRPTGES

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 EGFR 1109/4885KDR 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.