SCHEMBL2470754

SCHEMBL2470754

CC(=O)c1c(-c2ccc(Br)cc2)noc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.53
HTT P42858 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
GPBAR1 Q8TDU6 2/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA1F O60840 1/20 0.46
ABCB1 P08183 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1246411 0.87 KMT2A (0.56) RAB9AKMT2AMEN1GAAHTT
SCHEMBL1575050 0.84 GPBAR1 (0.66) KMT2AMEN1GAAKDM4EGPBAR1
SCHEMBL2475844 0.84 GPBAR1 (0.59) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL1574735 0.83 KMT2A (0.73) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2472330 0.83 RAB9A (0.53) RAB9AKMT2AMEN1GAAHTT
SCHEMBL2473629 0.82 KMT2A (0.51) KMT2AMEN1GAAHTTTDP1
SCHEMBL13674 0.81 CACNA1F (0.62) RAB9AKMT2AMEN1GAAHTT
SCHEMBL2471731 0.80 KMT2A (0.51) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL13844537 0.78 KMT2A (0.47) RAB9AKMT2AMEN1GAAHTT
SCHEMBL14546863 0.78 KMT2A (0.47) RAB9AKMT2AMEN1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US 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
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO 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
EP-0191045-B1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.p.A. (IT) 1989-12-20 EP disclosed
US-4766138-A Use of 4-(isoxazolyl)-thiazole-2-oxamic acid derivatives ZAMBON S.P.A. (IT) 1988-08-23 US disclosed
EP-0191045-A1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES. ZAMBON SPA (IT) 1986-08-20 EP disclosed
WO-1986000899-A1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.P.A. (IT) 1986-02-13 WO 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 (2 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 RAB9A 1937/4885KMT2A 2367/4885MEN1 4609/4885
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 RAB9A 880/4885KMT2A 1742/4885MEN1 4548/4885

“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.