SCHEMBL2473701

SCHEMBL2473701

CC(=O)c1ccc(-n2cnc(-c3c(-c4ccccc4F)noc3C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
PTGS1 P23219 1/20 0.40
GABRA5 P31644 4/20 0.39
BRD4 O60885 2/20 0.39
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL2471395 0.85 MAPK14 (0.48) PTGS1BRD4ALDH1A1MAPTGAA
SCHEMBL2470875 0.84 BRD4 (0.44) GABRA5BRD4KDM4EHSD17B10MEN1
SCHEMBL2470837 0.84 BRD4 (0.45) GPBAR1GABRA5BRD4ALDH1A1KDM4E
SCHEMBL2473590 0.84 MAPT (0.43) GPBAR1PTGS1BRD4ALDH1A1MAPT
SCHEMBL2470769 0.83 GABRA5 (0.43) GPBAR1PTGS1GABRA5BRD4BRD2
SCHEMBL2472122 0.83 PTGS1 (0.40) GPBAR1PTGS1GABRA5EPAS1ALDH1A1
SCHEMBL2468574 0.80 PTGS1 (0.43) GPBAR1PTGS1BRD4EPAS1ALDH1A1
SCHEMBL2472679 0.80 BRD4 (0.45) PTGS1BRD4ALDH1A1MAPTKDM4E
SCHEMBL2475081 0.79 BRD4 (0.42) PTGS1BRD4ALDH1A1MAPTKDM4E
SCHEMBL2471573 0.78 PTGS2 (0.47) PTGS1ALDH1A1MAPTGAAHTT

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 6 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
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
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 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

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 GPBAR1 184/4885PTGS1 2693/4885GABRA5 1/4885

“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.