SCHEMBL6069852

SCHEMBL6069852

O=[N+]([O-])c1ccc(NCCNCc2ccc([N+](=O)[O-])c(-c3ccc(Cl)cc3Cl)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
GSK3B P49841 5/20 0.54
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.45
AHR P35869 1/20 0.44
GSK3A P49840 3/20 0.44
CDK1 P06493 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL6069118 0.87 GSK3B (0.56) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL6069291 0.85 GSK3B (0.55) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL7026093 0.83 GSK3B (0.63) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL7250443 0.81 GSK3B (0.56) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL6069510 0.80 GSK3B (0.51) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL5089526 0.79 MAPT (0.52) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL5076249 0.76 GSK3B (0.62) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL5089286 0.76 GSK3B (0.53) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL6086880 0.76 GSK3B (0.57) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL7851803 0.75 GSK3B (0.54) MAPTRAB9ANPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989382-B2 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-01-24 US disclosed
EP-1556355-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-07-27 EP disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 US disclosed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 WO 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-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP MAPT 594/4885RAB9A 3475/4885NPC1 1122/4885

“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.