SCHEMBL2827089

SCHEMBL2827089

CCOc1cccc2cc(C(=O)c3c(-c4ccc(Br)cc4)noc3C)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TP53 P04637 1/20 0.40
CACNA1F O60840 1/20 0.40
ABCB1 P08183 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 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
SCHEMBL2827742 0.91 GAA (0.50) LMNAADORA3NPSR1PPARGNCOA2
SCHEMBL2829272 0.89 KMT2A (0.52) LMNANPSR1PPARGNCOA2GAA
SCHEMBL2829309 0.88 PIM1 (0.48) LMNAKDM4ETP53MEN1KMT2A
SCHEMBL2853086 0.88 ALDH1A1 (0.44) LMNAPPARGNCOA2KDM4ETP53
SCHEMBL4986783 0.87 SMN1; SMN2 (0.44) LMNAADORA3NPSR1KDM4EADORA2A
SCHEMBL2829708 0.87 KMT2A (0.46) LMNAPPARGNCOA2KDM4ETP53
SCHEMBL2826616 0.86 POLB (0.42) LMNACA12CA2CA9GAA
SCHEMBL2830390 0.86 ALDH1A1 (0.44) LMNAGAAKDM4ETP53POLB
SCHEMBL2832702 0.85 ADORA3 (0.46) LMNAADORA3PPARGNCOA2GAA
SCHEMBL2831568 0.85 POLB (0.38) LMNACA12CA2CA9ADORA3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
EP-1948648-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP claimed
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US claimed
WO-2007054444-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 US claimed
EP-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-1948648-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP disclosed
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US disclosed
WO-2007054444-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 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 (1 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-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives GABRA5, GABRA4, GABRA3 LMNA 3467/4885CA12 2937/4885CA2 611/4885

“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.