SCHEMBL3597133

SCHEMBL3597133

CC(C#N)(Cn1nc2c(Cl)cc(Cl)c(Cl)c2n1)NC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NTRK1 P04629 3/20 0.36
NTRK2 Q16620 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SORT1 Q99523 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL3602924 0.88 ADORA3 (0.39) PTGDR2HTTTRPV1MRGPRX4GAA
SCHEMBL3608086 0.85 ADORA3 (0.39) SMOPTGDR2NTRK1NTRK2HTT
SCHEMBL3595708 0.82 KCNQ3 (0.39) PTGDR2NTRK1TRPV1
SCHEMBL204156 0.80 MRGPRX4 (0.32) HTTMRGPRX4MAPT
SCHEMBL3603490 0.79 EPHX2 (0.37) PPARA
SCHEMBL3606384 0.79 AR (0.35)
SCHEMBL204436 0.79 TRPV1 (0.41) TRPV1
SCHEMBL204922 0.79 AR (0.32) MRGPRX4
SCHEMBL3602403 0.77 TRPV1 (0.40) HTTTRPV1MRGPRX4MAPT
SCHEMBL3606106 0.75 ADORA3 (0.37) MAPT

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 SMO 2917/4885PTGDR2 3264/4885NTRK1 890/4885

“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.