SCHEMBL6085307

SCHEMBL6085307

Cc1ccc(S(=O)(=O)OC(C(=N)N)C(N)Nc2ccc([N+](=O)[O-])c(NCc3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 5/20 0.40
SIRT5 Q9NXA8 2/20 0.39
ALDH1A1 P00352 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA13 Q8N1Q1 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.34
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL5089341 0.85 MAPT (0.43) SMN1; SMN2MAPTSIRT5ALDH1A1CA1
SCHEMBL6087081 0.83 ALDH1A1 (0.34) MAPTALDH1A1LMNAHTT
SCHEMBL5095054 0.76 KDM4E (0.49) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL5089338 0.76 SIRT5 (0.47) SMN1; SMN2MAPTSIRT5ALDH1A1CA1
SCHEMBL6086161 0.75 PKM (0.33) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL5094693 0.75 RAB9A (0.43) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL5094494 0.73 KDM4E (0.42) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL5095223 0.73 TAAR1 (0.34) MAPTALDH1A1KDM4ELMNA
SCHEMBL6085306 0.72 SIRT5 (0.47) SMN1; SMN2MAPTSIRT5ALDH1A1CA1
SCHEMBL5099581 0.68 ALDH1A1 (0.40) ALDH1A1TDP1

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-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB SMN1; SMN2 3937/4885MAPT 134/4885SIRT5 1708/4885

“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.