SCHEMBL2473363

SCHEMBL2473363

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
PTGS2 P35354 4/20 0.45
PTGS1 P23219 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MT-CO2 P00403 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL2469108 0.90 NPC1 (0.45) GABRA5PTGS2PTGS1KMT2AMEN1
SCHEMBL2470937 0.90 PTGS2 (0.45) GABRA5PTGS2PTGS1KMT2ARAB9A
SCHEMBL2470866 0.90 RAB9A (0.42) GABRA5KMT2AMEN1RAB9ANPC1
SCHEMBL2474502 0.89 NPC1 (0.40) GABRA5PTGS2PTGS1KMT2AMEN1
SCHEMBL2473722 0.89 GPBAR1 (0.38) GABRA5PTGS2PTGS1KMT2AMEN1
SCHEMBL2474228 0.87 PTGS2 (0.48) GABRA5PTGS2PTGS1KMT2AMEN1
SCHEMBL2470757 0.86 PTGS2 (0.56) PTGS2PTGS1KMT2ARAB9ANPC1
SCHEMBL2468925 0.86 TLR2 (0.40) GABRA5PTGS2RAB9ASMN1; SMN2MAPT
SCHEMBL2472122 0.86 PTGS1 (0.40) GABRA5PTGS1KMT2AMEN1RAB9A
SCHEMBL2477859 0.85 HTT (0.55) PTGS2PTGS1KMT2ARAB9ANPC1

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 13 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 claimed
CN-101351461-A Aryl-iso  oxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN claimed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
CN-101351461-B Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE 2011-09-07 CN disclosed
CN-101351461-A Aryl-iso  oxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN 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
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

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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 GABRA5 1/4885PTGS2 3762/4885PTGS1 2693/4885

“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.