SCHEMBL5089393

SCHEMBL5089393

N=C(N)CC(N)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CYP1A2 P05177 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 6/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
ALOX12 P18054 1/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL5094689 0.99 GAA (0.47) GAACYP1A2SMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL5093383 0.82 DPP4 (0.42) GAACYP1A2SMN1; SMN2POLBMAPT
SCHEMBL7020671 0.81 SMN1; SMN2 (0.49) GAACYP1A2SMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL5089382 0.80 GAA (0.42) GAACYP1A2SMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL6085781 0.78 GAA (0.43) GAACYP1A2SMN1; SMN2POLBMAPT
SCHEMBL5091555 0.76 CYP1A2 (0.51) GAACYP1A2SMN1; SMN2POLBMAPT
SCHEMBL7017028 0.76 MEN1 (0.53) GAACYP1A2SMN1; SMN2POLBMAPT
SCHEMBL7250668 0.76 CYP1A2 (0.65) GAACYP1A2SMN1; SMN2POLBMAPT
SCHEMBL5091651 0.76 SMN1; SMN2 (0.53) GAACYP1A2SMN1; SMN2POLBMAPT
SCHEMBL5092040 0.75 MAPT (0.33) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
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
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN 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 GAA 954/4885CYP1A2 2168/4885SMN1; SMN2 3937/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GAA 937/4885CYP1A2 2056/4885SMN1; SMN2 3847/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GAA 937/4885CYP1A2 2056/4885SMN1; SMN2 3847/4885

“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.