SCHEMBL2827746

SCHEMBL2827746

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cc(O)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.51
CLK1 P49759 2/20 0.47
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
HKDC1 Q2TB90 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
SCHEMBL2826364 0.91 FLT3 (0.51) FLT3ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2827781 0.87 BACE1 (0.49) FLT3RAB9AKMT2ANPC1BACE1
SCHEMBL2828891 0.87 FLT3 (0.49) FLT3ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL4592280 0.86 KMT2A (0.53) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL2832702 0.80 ADORA3 (0.46) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL2829649 0.80 BACE1 (0.47) ALDH1A1RAB9AMAPTBACE1
SCHEMBL2827855 0.80 KMT2A (0.54) FLT3ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL4593198 0.77 KMT2A (0.59) FLT3ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL2830358 0.77 KMT2A (0.53) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL4987398 0.77 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2GAALMNA

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 FLT3 2841/4885CLK1 3681/4885DYRK1A 1136/4885

“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.