SCHEMBL6085442

SCHEMBL6085442

CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
GAA P10253 8/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
DPP4 P27487 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
MC4R P32245 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTK2B Q14289 1/20 0.42
CLK1 P49759 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
SCHEMBL5099914 0.92 BRD4 (0.44) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL5093484 0.92 ALDH1A1 (0.47) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL7198334 0.89 MEN1 (0.46) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL5092303 0.89 MAPT (0.51) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL5101058 0.87 ALDH1A1 (0.43) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL5089397 0.87 MAPT (0.45) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL5094666 0.87 MAPT (0.49) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL5094009 0.87 MAPT (0.44) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL5092017 0.86 RAB9A (0.48) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL5092467 0.85 MAPT (0.50) MAPTKDM4ENPC1RAB9AMEN1

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-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
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
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 (2 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 134/4885GAA 954/4885KDM4E 2320/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885GAA 937/4885KDM4E 2567/4885

“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.