SCHEMBL2911941

SCHEMBL2911941

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2NC(=O)CNCCCOC)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
MET P08581 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARG P37231 2/20 0.31
KAT2B Q92831 1/20 0.30

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
SCHEMBL2912926 0.90 BDKRB1 (0.34) KMT2AGSK3AGSK3BMAPTKAT2B
SCHEMBL2908407 0.87 GSK3B (0.34) GSK3AGSK3BMAPTKAT2B
SCHEMBL2912527 0.86 GSK3B (0.36) KMT2AGSK3AGSK3BPPARGKAT2B
SCHEMBL2910651 0.84 MAPT (0.36) ALDH1A1MAPK1MAPTHTT
SCHEMBL2907410 0.84 GSK3B (0.34) ALDH1A1MAPK1KMT2AGSK3AGSK3B
SCHEMBL2907498 0.84 RAB9A (0.38) ALDH1A1MAPK1KMT2AGSK3AGSK3B
SCHEMBL2904881 0.83 RAB9A (0.39) ALDH1A1MAPK1KMT2AGSK3AGSK3B
SCHEMBL2904688 0.83 GSK3B (0.34) GSK3AGSK3BKAT2B
SCHEMBL2912544 0.83 CYP19A1 (0.37) ALDH1A1MAPK1KMT2AGSK3AGSK3B
SCHEMBL13455481 0.82 GSK3B (0.37) GSK3AGSK3BL3MBTL1KAT2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 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-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB HDAC1 393/4885MET 3843/4885ALDH1A1 3907/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB HDAC1 393/4885MET 3843/4885ALDH1A1 3907/4885

“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.