SCHEMBL2829708

SCHEMBL2829708

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 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
SCHEMBL2829272 0.89 KMT2A (0.52) KMT2AMEN1TSHRRAB9ASMN1; SMN2
SCHEMBL2827089 0.87 LMNA (0.46) KMT2AMEN1TSHRTP53RAB9A
SCHEMBL2832702 0.85 ADORA3 (0.46) KMT2AMEN1TSHRRAB9ASMN1; SMN2
SCHEMBL2826616 0.84 POLB (0.42) KMT2AMEN1TSHRTP53RAB9A
SCHEMBL4987398 0.83 KMT2A (0.43) KMT2AMEN1TSHRRAB9ASMN1; SMN2
SCHEMBL2829309 0.83 PIM1 (0.48) KMT2AMEN1TP53RAB9ASMN1; SMN2
SCHEMBL2853086 0.82 ALDH1A1 (0.44) KMT2AMEN1TP53RAB9ASMN1; SMN2
SCHEMBL4986783 0.82 SMN1; SMN2 (0.44) KMT2AMEN1TSHRRAB9ASMN1; SMN2
SCHEMBL2830390 0.81 ALDH1A1 (0.44) TSHRTP53RAB9ASMN1; SMN2LMNA
SCHEMBL2827849 0.80 KMT2A (0.61) KMT2AMEN1TSHRRAB9ASMN1; SMN2

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 KMT2A 2367/4885MEN1 4609/4885TSHR 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.