SCHEMBL4592280

SCHEMBL4592280

Cc1onc(-c2ccccc2)c1C(=O)c1cc2cc(Br)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.53
PIM1 P11309 1/20 0.50
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
BACE1 P56817 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2828891 0.88 FLT3 (0.49) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL4593198 0.87 KMT2A (0.59) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2830358 0.87 KMT2A (0.53) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2825483 0.86 TSHR (0.56) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2827746 0.86 FLT3 (0.51) KMT2AMEN1GAAPIM1HTT
SCHEMBL2827781 0.84 BACE1 (0.49) KMT2ABACE1TSHRNPC1RAB9A
SCHEMBL2825539 0.82 PIM1 (0.57) KMT2AMEN1GAAPIM1ALDH1A1
SCHEMBL2825529 0.81 L3MBTL1 (0.48) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2827855 0.81 KMT2A (0.54) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2828284 0.80 KDM4E (0.54) KMT2AMEN1GAAHTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4609/4885GAA 1429/4885

“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.