SCHEMBL5093359

SCHEMBL5093359

COCCNc1nc(NCCNc2ccc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
HCAR3 P49019 1/20 0.44
DPP4 P27487 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MAPK8 P45983 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL30672834 0.87 MAPT (0.64) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL14658935 0.87 MAPT (0.64) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL5100068 0.80 SMN1; SMN2 (0.70) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL5089526 0.76 MAPT (0.52) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3254574 0.76 LMNA (0.52) MAPTKMT2AMEN1RAB9APOLB
SCHEMBL16931464 0.75 LMNA (0.49) MAPTKMT2AMEN1RAB9APOLB
SCHEMBL8246245 0.74 MAPT (0.59) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL19172520 0.74 LMNA (0.51) MAPTKMT2AMEN1RAB9APOLB
SCHEMBL7250443 0.74 GSK3B (0.56) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL13649701 0.74 SMN1; SMN2 (0.58) MAPTKMT2AMEN1RAB9ANPC1

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 134/4885KMT2A 3490/4885MEN1 3334/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885KMT2A 3652/4885MEN1 3376/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885KMT2A 3652/4885MEN1 3376/4885

“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.