SCHEMBL13294692

SCHEMBL13294692

Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3cccs3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
DGKA P23743 2/20 0.44
DGKG P49619 1/20 0.44
DGKB Q9Y6T7 1/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
OPRK1 P41145 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR174 Q9BXC1 1/20 0.43
KCNA5 P22460 2/20 0.43
TNFSF11 O14788 1/20 0.42
TNF P01375 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
XBP1 P17861 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
SCHEMBL14489523 0.93 KCNA5 (0.44) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13294772 0.90 DCTPP1 (0.47) DCTPP1ALDH1A1SMN1; SMN2DGKADGKG
SCHEMBL3152870 0.88 DGKA (0.57) DCTPP1ALDH1A1SMN1; SMN2DGKADGKG
SCHEMBL14489528 0.87 DCTPP1 (0.42) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13294833 0.87 DCTPP1 (0.42) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13294830 0.85 SMN1; SMN2 (0.48) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13294832 0.85 DCTPP1 (0.41) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13294693 0.85 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2DGKADGKGDGKB
SCHEMBL13294720 0.83 GAA (0.46) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5530007 0.83 KCNA5 (0.44) DCTPP1ALDH1A1SMN1; SMN2LMNAMEN1

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 15 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-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
EP-1389110-B1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2010-03-24 EP 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-20070232613-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-10-04 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-7238809-B2 Process for the preparation of inhibitors of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2007-07-03 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-7192961-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-20070232613-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DCTPP1 4311/4885ALDH1A1 2081/4885SMN1; SMN2 4132/4885
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DCTPP1 4311/4885ALDH1A1 2081/4885SMN1; SMN2 4132/4885
US-20070197547-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 DCTPP1 4311/4885ALDH1A1 2081/4885SMN1; SMN2 4132/4885

“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.