SCHEMBL5089280

SCHEMBL5089280

CCCCOc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPT P10636 9/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK8 P45983 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 1/20 0.39
MAPK1 P28482 1/20 0.39

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 0.92 MAPT (0.51) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5093424 0.92 NPC1 (0.50) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5094666 0.91 MAPT (0.49) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5092017 0.90 RAB9A (0.48) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5100261 0.89 MAPT (0.45) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5091593 0.89 RAB9A (0.46) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5091542 0.89 MAPT (0.48) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5092467 0.89 MAPT (0.50) MAPTNPC1RAB9ALMNAKDM4E
SCHEMBL5089344 0.89 MAPT (0.48) PKMMAPTNPC1RAB9ALMNA
SCHEMBL5094456 0.89 GSK3B (0.49) PKMMAPTNPC1RAB9ALMNA

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 PKM 369/4885MAPT 134/4885NPC1 2111/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 356/4885MAPT 146/4885NPC1 1941/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 356/4885MAPT 146/4885NPC1 1941/4885

“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.