SCHEMBL2824029

SCHEMBL2824029

CC(=O)c1c(C)nc2ccc(OC(F)(F)F)cc2c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
FABP3 P05413 1/20 0.52
FABP4 P15090 1/20 0.52
PRNP P04156 1/20 0.52
PPARG P37231 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGFR P43088 2/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PLA2G2A P14555 1/20 0.46
TACR1 P25103 2/20 0.45
DHODH Q02127 2/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL2824236 0.90 DHODH (0.58) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL2822038 0.90 FABP3 (0.51) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL2825661 0.89 FABP3 (0.52) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL2823273 0.86 DHODH (0.48) ALDH1A1FABP3FABP4DHODH
SCHEMBL2823301 0.85 ALDH1A1 (0.69) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL2822034 0.81 FABP3 (0.53) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL2826079 0.81 POLB (0.46) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL27704153 0.81 PTGFR (0.44) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL2822426 0.81 DHODH (0.45) ALDH1A1FABP3FABP4PRNPPPARG
SCHEMBL15491291 0.81 DHODH (0.54) ALDH1A1PTGFRPLA2G2ADHODHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO claimed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 US claimed
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO disclosed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 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-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors GABRB1, GABRB2, GABRA1 ALDH1A1 925/4885FABP3 2743/4885FABP4 3800/4885

“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.