SCHEMBL2475844

SCHEMBL2475844

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.59
LMNA P02545 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PTGS2 P35354 2/20 0.50
BACE1 P56817 3/20 0.49
NPC1 O15118 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL27913634 0.89 GPBAR1 (0.60) GPBAR1LMNAKMT2AMEN1GAA
SCHEMBL457706 0.87 GPBAR1 (0.59) GPBAR1LMNAKMT2AMEN1GAA
SCHEMBL4718673 0.86 KMT2A (0.72) GPBAR1LMNAKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL3981907 0.86 GPBAR1 (0.57) GPBAR1LMNAKMT2AMEN1GAA
SCHEMBL3068021 0.86 GPBAR1 (0.61) GPBAR1LMNAKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL30684627 0.84 KMT2A (0.70) GPBAR1LMNAKMT2AMEN1GAA
SCHEMBL1575050 0.84 GPBAR1 (0.66) GPBAR1KMT2AMEN1GAAKDM4E
SCHEMBL2470754 0.84 RAB9A (0.54) GPBAR1KMT2AMEN1GAAKDM4E
SCHEMBL1574735 0.83 KMT2A (0.73) GPBAR1LMNAKMT2AMEN1GAA
SCHEMBL2471731 0.83 KMT2A (0.51) GPBAR1KMT2AMEN1GAAKDM4E

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 8 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-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-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP 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
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 GPBAR1 184/4885LMNA 4287/4885KMT2A 1742/4885
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 GPBAR1 2708/4885LMNA 4135/4885KMT2A 3283/4885

“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.