SCHEMBL14349944

SCHEMBL14349944

COc1ccc(C(=O)N2CCN(c3c(C#N)c(OCCCN(C)C)nc4ccc(Cl)cc34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.44
▸ CFTR P13569 2/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ MGLL Q99685 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 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
SCHEMBL14349955 0.95 SMN1; SMN2 (0.42) MGLLSMN1; SMN2MAPTTP53KDM4E
SCHEMBL14349942 0.92 TLR9 (0.40) MGLLSMN1; SMN2MAPTKDM4EGPR6
SCHEMBL14349982 0.92 CFTR (0.47) DRD2CFTRKCNA5DRD3SMN1; SMN2
SCHEMBL14349958 0.90 IDH1 (0.41) MGLLSMN1; SMN2MAPTTP53KDM4E
SCHEMBL14349953 0.89 LMNA (0.41) CFTRKCNA5MGLLSMN1; SMN2MAPT
SCHEMBL14349939 0.89 CDK1 (0.45) DRD2CFTRKCNA5DRD3MGLL
SCHEMBL14349937 0.87 HRH4 (0.42) KCNA5MGLLSMN1; SMN2MAPTKDM4E
SCHEMBL13295129 0.85 MEN1 (0.44) DRD2KCNA5DRD3ESR1ESR2
SCHEMBL14349941 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTP53POLBKDM4E
SCHEMBL14451884 0.84 ALDH1A1 (0.36) SMN1; SMN2KDM4EALDH1A1LMNAHPGD

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 22 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-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-20070238736-A9 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME SIRCAR JAGADISH 2007-10-11 — — 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-20070179132-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-08-02 — — US disclosed
US-20070179132-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-08-02 — — 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-20070054920-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 — — US disclosed
US-20070054920-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 — — US disclosed
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 — — US disclosed
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 — — US disclosed
US-20070054922-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-03-08 — — US disclosed
US-20070054922-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070179132-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885
US-20070238736-A9 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885
US-20070270395-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885
US-20070054898-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885
US-20070054920-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885
US-20070054923-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885
US-20070054922-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DRD2 4312/4885CFTR 1679/4885KCNA5 4562/4885

“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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