SCHEMBL4593198

SCHEMBL4593198

Cc1onc(-c2ccccc2)c1C(=O)c1cc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 1/20 0.59
FLT3 P36888 1/20 0.54
TSHR P16473 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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 0.91 FLT3 (0.49) KMT2AMEN1GAAFLT3TSHR
SCHEMBL2827855 0.88 KMT2A (0.54) KMT2AMEN1GAAFLT3TSHR
SCHEMBL4592280 0.87 KMT2A (0.53) KMT2AMEN1GAATSHRNPC1
SCHEMBL2830358 0.87 KMT2A (0.53) KMT2AMEN1GAATSHRNPC1
SCHEMBL2825483 0.86 TSHR (0.56) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL2827281 0.85 TSHR (0.55) KMT2AMEN1GAATSHRNPC1
SCHEMBL2828284 0.85 KDM4E (0.54) KMT2AMEN1GAATSHRNPC1
SCHEMBL2825512 0.84 KMT2A (0.52) KMT2AMEN1GAATSHRRAB9A
SCHEMBL2825539 0.83 PIM1 (0.57) KMT2AMEN1GAATSHRNPC1
SCHEMBL2827053 0.82 KMT2A (0.50) KMT2AMEN1GAATSHRRAB9A

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.