SCHEMBL5521306

SCHEMBL5521306

CN(C)CCCOc1nc2ccccc2c(N2CCN(C(=O)c3cccs3)CC2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ KCNA5 P22460 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5529525 0.91 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL14349977 0.91 ALDH1A1 (0.54) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL5534509 0.90 ALDH1A1 (0.46) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL5526576 0.90 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL5534535 0.88 PARP1 (0.47) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL13450081 0.85 PARP1 (0.46) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL5529636 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL5526791 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL13295156 0.85 PARP1 (0.45) ALDH1A1MAPK1LMNAL3MBTL1TSHR
SCHEMBL14349937 0.85 HRH4 (0.42) ALDH1A1LMNAMAPTKDM4ECASP1

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 ALDH1A1 1799/4885MAPK1 3103/4885LMNA 2061/4885
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 ALDH1A1 1799/4885MAPK1 3103/4885LMNA 2061/4885
US-20040204586-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 ALDH1A1 1446/4885MAPK1 2929/4885LMNA 2519/4885
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 ALDH1A1 1799/4885MAPK1 3103/4885LMNA 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.

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