SCHEMBL2645358

SCHEMBL2645358

O=CC(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
HDAC8 Q9BY41 1/20 0.43
VNN1 O95497 7/20 0.42
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.39
KMO O15229 1/20 0.39
P4HB P07237 2/20 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
SCHEMBL10659911 0.81 VNN1 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL78878 0.79 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL31438988 0.79 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL9501454 0.79 RAB9A (0.48)
SCHEMBL8780278 0.79 CES2 (0.61) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL2577750 0.78 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL759728 0.78 KCNQ3 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL14012598 0.78 KIF11 (0.60) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL29421493 0.78 KIF11 (0.60) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL30641942 0.78 VNN1 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 TAS1R3 566/4885TAS1R1 465/4885TAS1R2 500/4885

“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.