SCHEMBL2832702

SCHEMBL2832702

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HKDC1 Q2TB90 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL2825512 0.90 KMT2A (0.52) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL4987398 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2829272 0.88 KMT2A (0.52) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2827089 0.85 LMNA (0.46) ADORA3ADORA2AADORA1KMT2AMEN1
SCHEMBL2829708 0.85 KMT2A (0.46) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2828891 0.84 FLT3 (0.49) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2827053 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1HTTTDP1
SCHEMBL2829309 0.81 PIM1 (0.48) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2853086 0.81 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2826364 0.80 FLT3 (0.51) KMT2AMEN1ALDH1A1HTTKDM4E

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 ADORA3 68/4885ADORA2A 251/4885ADORA1 132/4885

“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.