SCHEMBL2826414

SCHEMBL2826414

Nc1ccc(OC(F)(F)F)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRAF P15056 1/20 0.46
HDAC1 Q13547 1/20 0.46
CCR2 P41597 1/20 0.46
MGLL Q99685 2/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
FABP2 P12104 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
P2RX1 P51575 1/20 0.43
LTC4S Q16873 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL19857760 0.92 CCR9 (0.49) MAPTTDP1LMNATSHRMAPK1
SCHEMBL2843778 0.87 BRAF (0.47) POLBMAPTBRAFHDAC1LMNA
SCHEMBL2824553 0.87 MAPT (0.57) POLBMAPTBRAFHDAC1LMNA
SCHEMBL2825422 0.86 TRPV1 (0.46) MAPTCCR2MGLLLMNATSHR
SCHEMBL2822598 0.86 ALDH1A1 (0.47) POLBMAPTTDP1BRAFHDAC1
SCHEMBL2825433 0.86 MAPT (0.50) POLBMAPTBRAFHDAC1LMNA
SCHEMBL11063162 0.86 POLB (0.50) POLBMAPTTDP1MGLLCYP11B1
SCHEMBL2828934 0.85 IGF2BP2 (0.42) MAPTBRAFHDAC1LMNATSHR
SCHEMBL2823944 0.83 MAPT (0.46) POLBMAPTHDAC1LMNATSHR
SCHEMBL2824271 0.82 CNR2 (0.44) MAPTLMNATSHRMAPK1HTT

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-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
CN-101068788-A As GABABQuinoline compounds as allosteric enhancers of receptors HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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 POLB 2979/4885MAPT 2928/4885TDP1 2522/4885

“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.