SCHEMBL11029675

SCHEMBL11029675

CC(C)(C)OC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.42
CYP17A1 P05093 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
MTOR P42345 1/20 0.39
PSMB8 P28062 1/20 0.39
MAP4K4 O95819 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCL2 P10415 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
BECN1 Q14457 1/20 0.35
TTK P33981 1/20 0.35
IDH1 O75874 1/20 0.35
ABL1 P00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL11942673 0.92 TRPV1 (0.43) P2RY14CYP17A1PSMB8MAPTIDH1
SCHEMBL1261441 0.91 ABCG2 (0.43) ABCG2CYP3A4MAPTATMNPSR1
SCHEMBL11942679 0.90 ABCG2 (0.36) P2RY14ABCG2MTORCYP3A4MAPT
SCHEMBL11942665 0.87 NPC1 (0.43) ABCG2CYP3A4MAPTATMNPSR1
SCHEMBL2743411 0.87 MAPT (0.40) ABCG2CYP3A4MAPTATMNPSR1
SCHEMBL11942664 0.86 CHRNA7 (0.43) MAPTABL1TRPV1
SCHEMBL2743576 0.86 ABCG2 (0.39) ABCG2CYP3A4MAPTATMNPSR1
SCHEMBL16078277 0.85 KCNQ3 (0.45) ABCG2CYP3A4MAPTATMNPSR1
SCHEMBL16073030 0.84 CYP17A1 (0.46) P2RY14CYP17A1MTORPSMB8MAP4K4
SCHEMBL11952866 0.83 MAPT (0.41) MAPTABL1TRPV1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376401-B2 Preparation of 1,3-(substituted-diaryl)-1,2,4-triazoles and intermediates therefrom DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-9376401-B2 Preparation of 1,3-(substituted-diaryl)-1,2,4-triazoles and intermediates therefrom DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
WO-2014163934-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2014-10-09 WO disclosed
WO-2014158648-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
WO-2014158649-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
US-20140275556-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 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 (3 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-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC P2RY14 1347/4885CYP17A1 2032/4885ABCG2 1643/4885
US-20140275556-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES AND INTERMEDIATES THEREFROM DDT, CYP51A1, WEE1 P2RY14 2323/4885CYP17A1 428/4885ABCG2 3109/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 P2RY14 426/4885CYP17A1 1271/4885ABCG2 1102/4885

“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.