SCHEMBL2473829

SCHEMBL2473829

CCOC(=O)c1nc(-c2c(-c3ccccc3)noc2C)cn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
MAPT P10636 1/20 0.44
MLYCD O95822 2/20 0.43
NPC1 O15118 1/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
GABRA5 P31644 2/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2474850 0.89 NPC1 (0.46) DHODHMAPTNPC1GABRA5POLB
SCHEMBL2474038 0.86 MAPT (0.44) DHODHMAPTMLYCDNPC1GABRA2
SCHEMBL2470928 0.81 MAPK14 (0.48) MAPTGABRA5POLBALOX15TSHR
SCHEMBL2472887 0.81 PTGS1 (0.48) MAPTNPC1GABRA5KDM4EALDH1A1
SCHEMBL2471679 0.79 PTGS2 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL2472364 0.78 GABRA5 (0.43) MAPTNPC1GABRA5MAPK14L3MBTL1
SCHEMBL4506401 0.72 NPC1 (0.50) MAPTNPC1CACNA1FCACNA1DCACNA1S
SCHEMBL2468902 0.72 PTGS1 (0.47) MAPTNPC1GABRA5POLBTSHR
SCHEMBL2470833 0.72 L3MBTL1 (0.46) MAPTNPC1CACNA1FCACNA1DCACNA1S
SCHEMBL2470836 0.72 MAPK14 (0.48) MAPTPOLBALOX15TSHRMAPK1

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 10 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
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
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 DHODH 2685/4885MAPT 254/4885MLYCD 2297/4885

“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.