SCHEMBL5523458

SCHEMBL5523458

N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cc(Cl)ccc2n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CYP2C9 P11712 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
KCNA5 P22460 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL14349919 0.94 GAA (0.49) GAAPTGS2PTGS1CYP2C9PTGDR2
SCHEMBL5528792 0.93 HTT (0.49) GAAPTGS2PTGS1HTTSMN1; SMN2
SCHEMBL5526077 0.91 GAA (0.46) GAACYP2C9PTGDR2HTTSMN1; SMN2
SCHEMBL5526128 0.90 HTT (0.48) GAACYP2C9PTGDR2HTTSMN1; SMN2
SCHEMBL5526506 0.90 GAA (0.50) GAAPTGS2PTGS1HTTSMN1; SMN2
SCHEMBL14349978 0.87 PTGS2 (0.48) PTGS2PTGS1HTTSMN1; SMN2LMNA
SCHEMBL5107876 0.87 GAA (0.48) GAAHTTSMN1; SMN2LMNAKCNA5
SCHEMBL14349976 0.87 HSP90AA1 (0.48) PTGS2PTGS1HTTSMN1; SMN2LMNA
SCHEMBL13294720 0.86 GAA (0.46) GAAPTGS2PTGS1CYP2C9PTGDR2
SCHEMBL14349960 0.85 PTGS1 (0.50) PTGS2PTGS1HTTSMN1; SMN2LMNA

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 GAA 2209/4885PTGS2 367/4885PTGS1 200/4885
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 GAA 2209/4885PTGS2 367/4885PTGS1 200/4885
US-20040204586-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GAA 1894/4885PTGS2 274/4885PTGS1 161/4885
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GAA 2209/4885PTGS2 367/4885PTGS1 200/4885

“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.