SCHEMBL5530007

SCHEMBL5530007

Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALOX12 P18054 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
SCHEMBL5532647 0.90 ALDH1A1 (0.52) KCNA5ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL5531173 0.89 GAA (0.50) KCNA5ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL5532425 0.88 ALDH1A1 (0.47) KCNA5ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL14350006 0.87 KCNA5 (0.42) KCNA5ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL5528792 0.86 HTT (0.49) KCNA5ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL14349930 0.86 HTR3A (0.41) KCNA5ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL14349987 0.85 LMNA (0.46) ALDH1A1LMNAMAPK1MAPTKDM4E
SCHEMBL14489523 0.84 KCNA5 (0.44) KCNA5ALDH1A1LMNAMAPK1MAPT
SCHEMBL5523458 0.84 GAA (0.47) KCNA5ALDH1A1LMNAL3MBTL1GAA
SCHEMBL13294692 0.83 DCTPP1 (0.47) KCNA5ALDH1A1LMNAL3MBTL1MAPT

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312220-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312220-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312220-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312221-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312221-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-7312221-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-12-25 US disclosed
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-11-22 US disclosed
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-11-22 US disclosed
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-11-22 US disclosed
US-20070238736-A9 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME SIRCAR JAGADISH 2007-10-11 US disclosed
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
EP-1594501-A4 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-01-24 EP disclosed
EP-1594501-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME Avanir Pharmaceuticals (US) 2005-11-16 EP disclosed
US-20040204586-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS, INC. 2004-10-14 US disclosed
WO-2004074218-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2004-09-02 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 (4 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-20070238736-A9 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 KCNA5 4562/4885ALDH1A1 1799/4885LMNA 2061/4885
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 KCNA5 4562/4885ALDH1A1 1799/4885LMNA 2061/4885
US-20040204586-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 KCNA5 4621/4885ALDH1A1 1446/4885LMNA 2519/4885
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 KCNA5 4562/4885ALDH1A1 1799/4885LMNA 2061/4885

“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.