SCHEMBL2829309

SCHEMBL2829309

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cccc(OCc3ccncc3)c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.40
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL2829280 0.92 PIM1 (0.46) PIM1PIM2POLBMAPTSMN1; SMN2
SCHEMBL2830390 0.91 ALDH1A1 (0.44) PIM1PIM2POLBMAPTRXFP1
SCHEMBL2827089 0.88 LMNA (0.46) POLBMAPTTP53SMN1; SMN2KMT2A
SCHEMBL4986783 0.88 SMN1; SMN2 (0.44) POLBMAPTRXFP1SMN1; SMN2KMT2A
SCHEMBL2853086 0.87 ALDH1A1 (0.44) POLBMAPTRXFP1TP53SMN1; SMN2
SCHEMBL2827476 0.86 KMT2A (0.46) POLBMAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL2829272 0.85 KMT2A (0.52) POLBMAPTRXFP1SMN1; SMN2KMT2A
SCHEMBL2831568 0.84 POLB (0.38) POLBMAPTRXFP1TP53MAOB
SCHEMBL2827876 0.83 POLB (0.49) POLBMAPTRXFP1TP53SMN1; SMN2
SCHEMBL2829708 0.83 KMT2A (0.46) MAPTTP53SMN1; SMN2KMT2AMEN1

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 5 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 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 PIM1 2319/4885PIM2 2415/4885POLB 4574/4885

“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.