SCHEMBL5099448

SCHEMBL5099448

O=[N+]([O-])c1ccc(NCCNCCN2CCCC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.66
DPP7 Q9UHL4 1/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL7856206 0.99 DPP4 (0.65) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL3350836 0.94 DPP4 (0.63) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL5099785 0.89 DPP4 (0.56) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL3941709 0.89 DPP4 (0.61) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL491927 0.85 DPP4 (0.57) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL12130564 0.85 DPP4 (0.57) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL6152689 0.82 PKM (0.56) DPP4ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7247056 0.80 DPP4 (1.00) DPP4DPP7ALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1071651 0.79 DPP4 (0.98) DPP4DPP7ALDH1A1SMN1; SMN2POLB
SCHEMBL6087660 0.79 DPP4 (0.57) DPP4DPP7ALDH1A1SMN1; SMN2POLB

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 12 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
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 2190/4885DPP7 3466/4885ALDH1A1 3522/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP4 2183/4885DPP7 3403/4885ALDH1A1 3532/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP4 2183/4885DPP7 3403/4885ALDH1A1 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.