SCHEMBL2826616

SCHEMBL2826616

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
GABRA5 P31644 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CEPT1 Q9Y6K0 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2825477 0.93 KMT2A (0.45) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL2827089 0.86 LMNA (0.46) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL2829708 0.84 KMT2A (0.46) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL2829272 0.83 KMT2A (0.52) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL2829309 0.82 PIM1 (0.48) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL2853086 0.82 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL4986783 0.81 SMN1; SMN2 (0.44) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL2830390 0.80 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1RAB9ATSHR
SCHEMBL2832702 0.79 ADORA3 (0.46) SMN1; SMN2ALDH1A1HTTRAB9AKMT2A
SCHEMBL2831568 0.79 POLB (0.38) POLBSMN1; SMN2ALDH1A1HTTNPC1

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 8 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
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US 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 POLB 4574/4885SMN1; SMN2 2521/4885ALDH1A1 120/4885

“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.