SCHEMBL2825529

SCHEMBL2825529

Cc1onc(-c2ccccc2)c1C(=O)COc1ccc2oc(C(=O)c3c(-c4ccccc4)noc3C)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 3/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
BACE1 P56817 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2827069 0.93 L3MBTL1 (0.48) L3MBTL1POLBTSHRALOX15MAPK1
SCHEMBL2825483 0.87 TSHR (0.56) POLBTSHRGAAKMT2AMEN1
SCHEMBL2825539 0.83 PIM1 (0.57) L3MBTL1POLBTSHRALOX15MAPK1
SCHEMBL4593198 0.82 KMT2A (0.59) L3MBTL1POLBTSHRMAPK1GAA
SCHEMBL2830358 0.81 KMT2A (0.53) L3MBTL1POLBTSHRGAAKMT2A
SCHEMBL4592280 0.81 KMT2A (0.53) POLBTSHRGAAKMT2AMEN1
SCHEMBL2827281 0.80 TSHR (0.55) POLBTSHRGAAKMT2AMEN1
SCHEMBL4593045 0.79 KMT2A (0.44) POLBTSHRGAAKMT2AMEN1
SCHEMBL2827071 0.77 L3MBTL1 (0.46) L3MBTL1POLBTSHRALOX15MAPK1
SCHEMBL2828284 0.77 KDM4E (0.54) L3MBTL1POLBTSHRALOX15MAPK1

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 L3MBTL1 3951/4885POLB 4574/4885TSHR 840/4885

“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.