SCHEMBL5092467

SCHEMBL5092467

CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK8 P45983 1/20 0.41
DPP4 P27487 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 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
SCHEMBL5092303 0.95 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5094666 0.93 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5092017 0.92 RAB9A (0.48) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5091542 0.91 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5089344 0.91 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5094456 0.91 GSK3B (0.49) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5094966 0.91 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5093424 0.90 NPC1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5098932 0.90 FOS (0.47) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL5093391 0.90 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAMAPK1

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 MAPT 134/4885ALDH1A1 3522/4885SMN1; SMN2 3937/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885ALDH1A1 3532/4885SMN1; SMN2 3847/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885ALDH1A1 3532/4885SMN1; 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.