SCHEMBL2829677

SCHEMBL2829677

Cc1onc(-c2ccccc2)c1C(=O)c1cc2cccc(OCc3cccc(F)c3)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 2/20 0.46
TSHR P16473 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 1/20 0.42
DHODH Q02127 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2827876 0.93 POLB (0.49) POLBTP53NPC1TSHRGAA
SCHEMBL2827476 0.93 KMT2A (0.46) POLBNPC1TSHRGAAMAPT
SCHEMBL2829280 0.88 PIM1 (0.46) POLBNPC1TSHRGAAMAPT
SCHEMBL2829178 0.87 ALDH1A1 (0.52) POLBNPC1TSHRGAAMAPT
SCHEMBL2827742 0.86 GAA (0.50) POLBNPC1TSHRGAAMAPT
SCHEMBL2825500 0.85 ALDH1A1 (0.48) POLBNPC1TSHRGAAMAPT
SCHEMBL2828886 0.85 SMN1; SMN2 (0.51) POLBNPC1TSHRGAAMAPT
SCHEMBL2827849 0.83 KMT2A (0.61) POLBNPC1TSHRGAAMAPT
SCHEMBL2830575 0.82 NPC1 (0.40) POLBNPC1TSHRGAAMAPT
SCHEMBL2830537 0.81 KMT2A (0.50) POLBNPC1TSHRGAARXFP1

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 POLB 4574/4885TP53 3285/4885NPC1 1706/4885

“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.