SCHEMBL3597503

SCHEMBL3597503

CC(C#N)(Cn1cc2c(Cl)cc(Cl)c(Cl)c2n1)NC(=O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNE1 P15382 2/20 0.38
KCNQ1 P51787 2/20 0.38
ADORA3 P0DMS8 3/20 0.37
AR P10275 9/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR1 P21453 1/20 0.34
NTRK1 P04629 1/20 0.34
PGR P06401 1/20 0.33
RORC P51449 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL3606093 0.89 ADORA3 (0.47) ADORA3ARADORA2AADORA1S1PR3
SCHEMBL3609065 0.87 KCNQ3 (0.38) KCNQ3KCNQ2ADORA3ADORA2AADORA1
SCHEMBL3601702 0.86 MAPK1 (0.39) ADORA3ARADORA2AADORA1S1PR3
SCHEMBL3595708 0.85 KCNQ3 (0.39) KCNQ3KCNQ2KCNE1KCNQ1AR
SCHEMBL3596137 0.84 ADORA3 (0.37) ADORA3ARADORA2AADORA1S1PR3
SCHEMBL3600989 0.84 ADORA3 (0.37) ADORA3ARADORA2AADORA1S1PR3
SCHEMBL22047607 0.84 ADORA3 (0.37) ADORA3ARADORA2AADORA1PDE2A
SCHEMBL26077546 0.84 ADORA3 (0.37) ADORA3ARADORA2AADORA1S1PR3
SCHEMBL203103 0.84 TRPV1 (0.39) ADORA3ADORA2AADORA1
SCHEMBL3608086 0.83 ADORA3 (0.39) ADORA3ARADORA2AADORA1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
WO-2010056999-A9 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2018-06-07 WO disclosed
EP-3050874-A1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial, Inc. (US) 2016-08-03 EP disclosed
EP-2364301-B1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LTD (US) 2015-09-02 EP disclosed
US-8461176-B2 Enantiomerically enriched aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2013-06-11 US disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 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-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 KCNQ3 28/4885KCNQ2 69/4885KCNE1 126/4885

“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.