SCHEMBL2829272

SCHEMBL2829272

COc1cccc2cc(C(=O)c3c(-c4ccc(Br)cc4)noc3C)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.43
PPARG P37231 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NCOA2 Q15596 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HDAC1 Q13547 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
SCHEMBL2827849 0.91 KMT2A (0.61) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2829708 0.89 KMT2A (0.46) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2827089 0.89 LMNA (0.46) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2832702 0.88 ADORA3 (0.46) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4986783 0.86 SMN1; SMN2 (0.44) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL4987398 0.86 KMT2A (0.43) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2829309 0.85 PIM1 (0.48) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2853086 0.85 ALDH1A1 (0.44) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2827779 0.84 RAB9A (0.44) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL2830390 0.83 ALDH1A1 (0.44) RAB9ASMN1; SMN2ALDH1A1MAPTLMNA

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 KMT2A 2367/4885RAB9A 1937/4885MEN1 4609/4885

“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.