SCHEMBL5099417

SCHEMBL5099417

O=C(O)c1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)nc(-c3ccc([N+](=O)[O-])cc3)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
HCAR3 P49019 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A2 P31213 1/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
KDM6B O15054 1/20 0.40
FTO Q9C0B1 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
SCHEMBL5094052 0.96 DPP4 (0.49) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5089087 0.93 POLB (0.50) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5093303 0.91 DPP4 (0.45) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5094984 0.88 KMT2A (0.54) DPP4SMN1; SMN2POLBALDH1A1GAA
SCHEMBL5094979 0.88 MAPK8 (0.44) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5092424 0.88 SMN1; SMN2 (0.46) DPP4SMN1; SMN2POLBALDH1A1TDP1
SCHEMBL5089159 0.88 DPP4 (0.43) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5092321 0.87 MAPK8 (0.44) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5089170 0.87 SMN1; SMN2 (0.43) DPP4SMN1; SMN2POLBALDH1A1GSK3B
SCHEMBL5100324 0.85 POLB (0.44) DPP4SMN1; SMN2POLBALDH1A1GSK3B

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 13 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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (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 DPP4 2190/4885SMN1; SMN2 3937/4885POLB 624/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP4 2183/4885SMN1; SMN2 3847/4885POLB 692/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP4 2183/4885SMN1; SMN2 3847/4885POLB 692/4885

“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.