SCHEMBL2829178

SCHEMBL2829178

Cc1onc(-c2ccccc2)c1C(=O)c1cc2cccc(OCc3cccnc3)c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
BRAF P15056 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
IKBKB O14920 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL2830390 0.93 ALDH1A1 (0.44) ALDH1A1POLBKDM4EL3MBTL1LMNA
SCHEMBL2827476 0.92 KMT2A (0.46) ALDH1A1POLBL3MBTL1LMNAGAA
SCHEMBL2829280 0.90 PIM1 (0.46) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL2829677 0.87 POLB (0.51) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL2827876 0.87 POLB (0.49) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL2828886 0.86 SMN1; SMN2 (0.51) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL2827742 0.85 GAA (0.50) ALDH1A1POLBKDM4EL3MBTL1LMNA
SCHEMBL2825500 0.84 ALDH1A1 (0.48) ALDH1A1POLBL3MBTL1LMNAGAA
SCHEMBL2829309 0.83 PIM1 (0.48) ALDH1A1POLBKDM4ELMNANPC1
SCHEMBL2827849 0.82 KMT2A (0.61) ALDH1A1POLBKDM4EL3MBTL1LMNA

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 ALDH1A1 120/4885POLB 4574/4885KDM4E 1096/4885

“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.