SCHEMBL709428

SCHEMBL709428

COC(CCNc1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.42
GABRA2 P47869 17/20 0.42
GABRB2 P47870 17/20 0.42
GABRP O00591 15/20 0.42
GABRD O14764 15/20 0.42
GABRA1 P14867 15/20 0.42
GABRB1 P18505 15/20 0.42
GABRG2 P18507 15/20 0.42
GABRA5 P31644 15/20 0.42
GABRA3 P34903 15/20 0.42
GABRA4 P48169 15/20 0.42
GABRE P78334 15/20 0.42
GABRA6 Q16445 15/20 0.42
GABRG1 Q8N1C3 15/20 0.42
GABRG3 Q99928 15/20 0.42
GABRQ Q9UN88 15/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6055762 0.87 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6623244 0.83 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3370802 0.83 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL712966 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL711450 0.81 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5742653 0.81 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055620 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9010480 0.80 GABRP (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4092068 0.79 GABRA2 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7047015 0.79 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD

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
US-8124642-B2 Pesticidal N-phenylpyrazole derivatives MERIAL LIMITED (US) 2012-02-28 US disclosed
EP-1761500-B1 PESTICIDAL N-PHENYLPYRAZOLE DERIVATIVES MERIAL LTD (US) 2011-09-07 EP disclosed
US-20090186932-A1 Pesticidal N-Phenylpyrazole Derivatives MERIAL, INC. 2009-07-23 US disclosed
US-20070276028-A1 PESTICIDAL N-PHENYLPYRAZOLE DERIVATIVES MERIAL LIMITED 2007-11-29 US disclosed
EP-1761500-A1 PESTICIDAL N-PHENYLPYRAZOLE DERIVATIVES Merial Limited (US) 2007-03-14 EP disclosed
WO-2006000312-A1 PESTICIDAL N-PHENYLPYRAZOLE DERIVATIVES MERIAL LTD. (US) 2006-01-05 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 (2 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-20070276028-A1 PESTICIDAL N-PHENYLPYRAZOLE DERIVATIVES DDT, PTMS, PNPO GABRB3 1967/4885GABRA2 2330/4885GABRB2 2542/4885
US-20090186932-A1 Pesticidal N-Phenylpyrazole Derivatives DDT, PTMS, PNPO GABRB3 1967/4885GABRA2 2330/4885GABRB2 2542/4885

“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.