SCHEMBL5100883

SCHEMBL5100883

Cc1ccc(S(=O)(=O)OC(CNc2ccc([N+](=O)[O-])cn2)C(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
RAB9A P51151 7/20 0.43
KMT2A Q03164 6/20 0.43
HSP90AA1 P07900 1/20 0.43
CXCR5 P32302 1/20 0.43
APLNR P35414 1/20 0.43
CCR6 P51684 1/20 0.43
GFER P55789 1/20 0.43
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL5092352 0.86 RAB9A (0.41) MAPTRAB9AKMT2AHSP90AA1CXCR5
SCHEMBL5093456 0.85 ALDH1A1 (0.34) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL5094693 0.80 RAB9A (0.43) MAPTRAB9AKMT2AHSP90AA1CXCR5
SCHEMBL5100874 0.77 RAB9A (0.48) MAPTRAB9AKMT2AHSP90AA1CXCR5
SCHEMBL7855182 0.76 KDM4E (0.49) MAPTRAB9AGFERNPC1ALDH1A1
SCHEMBL5089341 0.76 MAPT (0.43) MAPTNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5094683 0.72 MAPT (0.48) MAPTRAB9AKMT2AHSP90AA1CXCR5
SCHEMBL5092350 0.71 MAPT (0.47) MAPTRAB9AKMT2AHSP90AA1CXCR5
SCHEMBL5091651 0.70 SMN1; SMN2 (0.53) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL30716720 0.70 MAPT (0.60) MAPTRAB9AKMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 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 (2 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885RAB9A 4093/4885KMT2A 3652/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885RAB9A 4093/4885KMT2A 3652/4885

“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.