SCHEMBL2823944

SCHEMBL2823944

Nc1ccc(OC(F)(F)F)cc1C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KAT6A Q92794 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LTC4S Q16873 1/20 0.42
STS P08842 1/20 0.42
POLB P06746 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HSD11B1 P28845 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.41

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
SCHEMBL2824553 0.90 MAPT (0.57) MAPTLMNATSHRMAPK1HTT
SCHEMBL2825422 0.89 TRPV1 (0.46) MAPTLMNATSHRMAPK1HTT
SCHEMBL2828934 0.85 IGF2BP2 (0.42) MAPTLMNATSHRMAPK1HTT
SCHEMBL690501 0.84 KAT6A (0.54) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL2843778 0.84 BRAF (0.47) MAPTLMNATSHRMAPK1HTT
SCHEMBL5190810 0.84 KAT6A (0.44) MAPTTSHRHTTKAT6ATAS1R3
SCHEMBL9226099 0.84 LTC4S (0.56) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL2822598 0.83 ALDH1A1 (0.47) MAPTHTTHDAC3HDAC1POLB
SCHEMBL2825433 0.83 MAPT (0.50) MAPTLMNATSHRMAPK1HTT
SCHEMBL2826414 0.83 POLB (0.48) 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 4 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
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 MAPT 2928/4885LMNA 4394/4885TSHR 211/4885

“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.