SCHEMBL5089526

SCHEMBL5089526

O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3Cl)n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
GSK3B P49841 3/20 0.50
PRKCQ Q04759 4/20 0.48
AHR P35869 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CDK1 P06493 2/20 0.42
GSK3A P49840 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL5143687 0.85 GSK3B (0.58) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL7153001 0.83 PRKCQ (0.46) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL7250443 0.82 GSK3B (0.56) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL7026093 0.82 GSK3B (0.63) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL5100068 0.80 SMN1; SMN2 (0.70) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL6069852 0.79 MAPT (0.56) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL1513210 0.78 MAPT (0.56) MAPTNPC1ALDH1A1RAB9APRKCQ
SCHEMBL6069118 0.78 GSK3B (0.56) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL5093359 0.76 MAPT (0.52) MAPTNPC1ALDH1A1RAB9AGAA
SCHEMBL7855355 0.76 GSK3B (0.56) MAPTNPC1ALDH1A1RAB9AGAA

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 9 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-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 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 (3 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 MAPT 134/4885NPC1 2111/4885ALDH1A1 3522/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885NPC1 1941/4885ALDH1A1 3532/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885NPC1 1941/4885ALDH1A1 3532/4885

“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.