SCHEMBL2830575

SCHEMBL2830575

Cc1onc(-c2ccccc2)c1C(=O)c1cc2cccc(OCc3ncnn3C)c2o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 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
SCHEMBL2831568 0.93 POLB (0.38) NPC1KMT2ALMNAMEN1HPGD
SCHEMBL2827476 0.87 KMT2A (0.46) NPC1KMT2ALMNATSHRGAA
SCHEMBL2827742 0.84 GAA (0.50) NPC1KMT2ALMNATSHRGAA
SCHEMBL2827876 0.84 POLB (0.49) NPC1KMT2ALMNATSHRGAA
SCHEMBL2829280 0.84 PIM1 (0.46) NPC1KMT2ALMNATSHRGAA
SCHEMBL2825500 0.83 ALDH1A1 (0.48) NPC1KMT2ALMNATSHRGAA
SCHEMBL2828886 0.83 SMN1; SMN2 (0.51) NPC1KMT2ALMNATSHRGAA
SCHEMBL2829677 0.82 POLB (0.51) NPC1KMT2ALMNATSHRGAA
SCHEMBL2829178 0.81 ALDH1A1 (0.52) NPC1KMT2ALMNATSHRGAA
SCHEMBL2827849 0.81 KMT2A (0.61) NPC1KMT2ALMNATSHRGAA

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 NPC1 1706/4885KMT2A 2367/4885LMNA 3467/4885

“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.