SCHEMBL1079862

SCHEMBL1079862

Fc1cnc(-c2ccccc2F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.58
GABRB3 P28472 10/20 0.58
GABRA5 P31644 10/20 0.58
GABRA3 P34903 10/20 0.58
GABRA1 P14867 6/20 0.49
GABRA2 P47869 2/20 0.49
MBNL1 Q9NR56 1/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
HTR5A P47898 2/20 0.40
DHODH Q02127 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL23536381 0.83 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15636423 0.78 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15624387 0.78 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654021 0.78 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29931945 0.77 ALDH1A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL23536042 0.77 ALDH1A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652324 0.76 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1066139 0.76 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2648964 0.76 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15637566 0.75 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1

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-2456311-A1 SUBSTITUTED IMIDAZOTRIAZINES Concert Pharmaceuticals Inc. (US) 2012-05-30 EP disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
WO-2011011712-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-01-27 WO disclosed
WO-2011011712-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-01-27 WO 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-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES GABRA5, GABRA3, GABRA2 GABRG2 15/4885GABRB3 5/4885GABRA5 1/4885

“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.