SCHEMBL13312967

SCHEMBL13312967

CN1CCN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.73
DGKG P49619 1/20 0.73
DGKB Q9Y6T7 1/20 0.73
MAPT P10636 8/20 0.60
NPSR1 Q6W5P4 4/20 0.60
KDM4E B2RXH2 2/20 0.60
ATM Q13315 3/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
XBP1 P17861 1/20 0.59
RAB9A P51151 1/20 0.59
PAX8 Q06710 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TLR9 Q9NR96 1/20 0.59
MITF O75030 1/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NTSR1 P30989 1/20 0.52

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
SCHEMBL14473840 0.89 DGKA (0.69) DGKADGKGDGKBMAPTNPSR1
SCHEMBL14177937 0.87 DGKA (0.67) DGKADGKGDGKBMAPTNPSR1
SCHEMBL13294852 0.85 KDM4E (0.72) DGKADGKGDGKBMAPTNPSR1
SCHEMBL13294520 0.84 DGKA (0.66) DGKADGKGDGKBMAPTNPSR1
SCHEMBL23609422 0.83 DGKA (0.61) DGKADGKGDGKBMAPTNPSR1
SCHEMBL13294983 0.83 KDM4E (0.64) DGKADGKGDGKBMAPTNPSR1
SCHEMBL3152870 0.82 DGKA (0.57) DGKADGKGDGKBMAPTNPSR1
SCHEMBL13294872 0.81 DGKA (0.59) DGKADGKGDGKBMAPTNPSR1
SCHEMBL13294850 0.81 DGKA (0.56) DGKADGKGDGKBMAPTNPSR1
SCHEMBL13294964 0.80 DGKA (0.58) DGKADGKGDGKBMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
US-7514225-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2009-04-07 US disclosed
US-7435737-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTIALS (US) 2008-10-14 US disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-20070197547-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-08-23 US disclosed
US-7235565-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-06-26 US disclosed
US-7230106-B2 Process for the preparation of inhibitors of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2007-06-12 US disclosed
US-7202248-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-04-10 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 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-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DGKA 4626/4885DGKG 4367/4885DGKB 4004/4885
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 DGKA 2199/4885DGKG 2529/4885DGKB 2000/4885
US-20070197547-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 DGKA 4626/4885DGKG 4367/4885DGKB 4004/4885

“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.