SCHEMBL712342

SCHEMBL712342

COC(CN(C)c1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl)SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.41
GABRA2 P47869 19/20 0.41
GABRB2 P47870 19/20 0.41
GABRP O00591 18/20 0.41
GABRD O14764 18/20 0.41
GABRA1 P14867 18/20 0.41
GABRB1 P18505 18/20 0.41
GABRG2 P18507 18/20 0.41
GABRA5 P31644 18/20 0.41
GABRA3 P34903 18/20 0.41
GABRA4 P48169 18/20 0.41
GABRE P78334 18/20 0.41
GABRA6 Q16445 18/20 0.41
GABRG1 Q8N1C3 18/20 0.41
GABRG3 Q99928 18/20 0.41
GABRQ Q9UN88 18/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL709129 0.91 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL709516 0.90 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL713582 0.85 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3575826 0.84 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4415803 0.84 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6624975 0.84 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3425558 0.83 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055588 0.82 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3259440 0.82 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1267183 0.82 GABRB3 (0.43) 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.