SCHEMBL1923744

SCHEMBL1923744

O=C(Cn1cc(-c2ccccc2)c(=O)c2ccc(Br)cc21)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
MAPT P10636 3/20 0.48
GRIN2B Q13224 6/20 0.47
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
PTGS2 P35354 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1923504 0.99 MAPT (0.49) IDO1MAPTGRIN2BALDH1A1TP53
SCHEMBL1923580 0.87 MAPT (0.50) MAPTGRIN2BALDH1A1TP53
SCHEMBL1923825 0.87 MAPT (0.38) IDO1MAPTGRIN2B
SCHEMBL1923726 0.86 MAPT (0.51) MAPTGRIN2BALDH1A1TP53L3MBTL1
SCHEMBL1923564 0.85 PTGDR2 (0.42) ALDH1A1
SCHEMBL1923990 0.84 SMN1; SMN2 (0.45) GRIN2BALDH1A1TP53TSHRL3MBTL1
SCHEMBL1923526 0.81 MAPT (0.34) MAPTALDH1A1GAA
SCHEMBL1923983 0.80 RAB9A (0.46) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL1923300 0.79 USP10 (0.49) MAPTGRIN2BALDH1A1TP53TSHR
SCHEMBL1923398 0.79 USP10 (0.49) MAPTGRIN2BALDH1A1TP53TSHR

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-2064185-B1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2011-06-08 EP claimed
US-20100168099-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2010-07-01 US claimed
EP-2064185-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-06-03 EP claimed
WO-2008017710-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL S.A. (ES) 2008-02-14 WO claimed
EP-1886996-A1 1H-Quinolin-4-one compounds, with affinity for the GABA receptor, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-13 EP claimed
EP-2064185-B1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2011-06-08 EP disclosed
US-20100168099-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2010-07-01 US disclosed
EP-2064185-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-06-03 EP disclosed
WO-2008017710-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL S.A. (ES) 2008-02-14 WO disclosed
EP-1886996-A1 1H-Quinolin-4-one compounds, with affinity for the GABA receptor, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-13 EP 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-20100168099-A1 1H-QUINOLIN-4-ONE COMPOUNDS, WITH AFFINITY FOR THE GABA RECEPTOR, PROCESSES, USES AND COMPOSITIONS GABRA1, GABRA4, GABRA2 IDO1 1338/4885MAPT 1569/4885GRIN2B 223/4885

“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.