SCHEMBL2825433

SCHEMBL2825433

COc1ccc(C(=O)c2cc(OC(F)(F)F)ccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 1/20 0.48
RAF1 P04049 1/20 0.47
ARAF P10398 1/20 0.47
BRAF P15056 1/20 0.47
HDAC1 Q13547 1/20 0.47
GAA P10253 1/20 0.47
VNN1 O95497 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GRIN2B Q13224 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL2843778 0.87 BRAF (0.47) MAPTHTTNPC1RAB9ABRAF
SCHEMBL2824553 0.87 MAPT (0.57) MAPTHTTBRAFHDAC1GAA
SCHEMBL8081475 0.87 MAPT (0.65) MAPTHTTNPSR1NPC1RAB9A
SCHEMBL2826414 0.86 POLB (0.48) MAPTHTTRAB9ABRAFHDAC1
SCHEMBL2821487 0.85 HTT (0.48) MAPTHTTNPSR1NPC1RAB9A
SCHEMBL2824271 0.84 CNR2 (0.44) MAPTHTTLMNATSHRMAPK1
SCHEMBL2823944 0.83 MAPT (0.46) MAPTHTTHDAC1POLBLMNA
SCHEMBL2828934 0.82 IGF2BP2 (0.42) MAPTHTTBRAFHDAC1LMNA
SCHEMBL10952466 0.81 HTT (0.58) MAPTHTTNPSR1NPC1RAB9A
SCHEMBL11508307 0.81 NPC1 (0.53) MAPTHTTNPSR1NPC1RAB9A

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 5 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
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 MAPT 2928/4885HTT 2213/4885NPSR1 76/4885

“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.