SCHEMBL711103

SCHEMBL711103

CNc1c([S+]([O-])C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.46
GABRA2 P47869 19/20 0.46
GABRB2 P47870 19/20 0.46
GABRP O00591 17/20 0.46
GABRD O14764 17/20 0.46
GABRA1 P14867 17/20 0.46
GABRB1 P18505 17/20 0.46
GABRG2 P18507 17/20 0.46
GABRA5 P31644 17/20 0.46
GABRA3 P34903 17/20 0.46
GABRA4 P48169 17/20 0.46
GABRE P78334 17/20 0.46
GABRA6 Q16445 17/20 0.46
GABRG1 Q8N1C3 17/20 0.46
GABRG3 Q99928 17/20 0.46
GABRQ Q9UN88 17/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14648758 0.90 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025320 0.90 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4427641 0.87 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3970589 0.87 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5370578 0.86 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835106 0.85 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
Butene-Fipronil SCHEMBL11992324 0.84 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28345400 0.84 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5201997 0.84 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL19148223 0.84 GABRB3 (0.42) 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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066515-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL, INC. (US) 2015-06-30 US disclosed
EP-1761502-B1 N-PHENYLPYRAZOLE DERIVATIVES AS PESTICIDES MERIAL LTD (US) 2013-12-18 EP disclosed
EP-1569517-B1 PESTICIDAL 5- (ACYLAMINO) PYRAZOLE DERIVATIVES MERIAL LTD (US) 2013-10-02 EP disclosed
EP-1599451-B1 PESTICIDAL 1-ARYL-3-AMIDOXIME-PYRAZOLE DERIVATIVES MERIAL LTD (US) 2013-04-24 EP disclosed
US-8362086-B2 Long acting injectable formulations MERIAL LIMITED (US) 2013-01-29 US disclosed
US-8362086-B2 Long acting injectable formulations MERIAL LIMITED (US) 2013-01-29 US disclosed
US-20130023490-A1 TOPICAL FORMULATIONS COMPRISING 1-N-ARYLPYRAZOLE DERIVATIVES AND AMITRAZ MERIAL, INC. 2013-01-24 US disclosed
US-8242161-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL LIMITED (US) 2012-08-14 US disclosed
US-8242161-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL LIMITED (US) 2012-08-14 US disclosed
US-8124642-B2 Pesticidal N-phenylpyrazole derivatives MERIAL LIMITED (US) 2012-02-28 US disclosed
WO-2004050633-A1 PESTICIDAL 1-AYL-3-AMIDOXIME-PYRAZOLE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2004-06-17 WO disclosed
WO-2004049803-A1 PESTICIDAL 5- (ACYLAMINO) PYRAZOLE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2004-06-17 WO disclosed
WO-2004049797-A2 PESTICIDAL SULPHONYLAMINOPYRAZOLES BAYER CROPSCIENCE S.A. (FR) 2004-06-17 WO disclosed
US-20040058819-A1 Process for the preparation of pesticidal compounds MERIAL, INC. 2004-03-25 US disclosed
US-20040010016-A1 Control of arthropods in animals AVENTIS CROPSCIENCE, S.A. (FR) 2004-01-15 US disclosed
US-6630499-B1 Non-emetic 1-arylpyrazole for oral administration AVENTIS CROPSCIENCE, S.A. (FR) 2003-10-07 US disclosed
US-6531501-B1 Veterinary parasiticide AVENTIS CROPSCIENCE, S.A. (FR) 2003-03-11 US disclosed
EP-1137639-A1 CONTROL OF ARTHROPODS IN ANIMALS AVENTIS CROPSCIENCE S.A. (FR) 2001-10-04 EP disclosed
US-6160002-A Control of arthropods in animals RHONE-POULENC AGRO (FR) 2000-12-12 US disclosed
WO-2000035884-A1 CONTROL OF ARTHROPODS IN ANIMALS AVENTIS CROPSCIENCE S.A. (FR) 2000-06-22 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-20130023490-A1 TOPICAL FORMULATIONS COMPRISING 1-N-ARYLPYRAZOLE DERIVATIVES AND AMITRAZ MGAT2, MGAT1, MIF GABRB3 2624/4885GABRA2 3005/4885GABRB2 2735/4885
US-20040010016-A1 Control of arthropods in animals CTRL, CYP3A43, RPL41 GABRB3 1493/4885GABRA2 2096/4885GABRB2 1859/4885
US-20040058819-A1 Process for the preparation of pesticidal compounds HDHD5, KCNH1, HRH2 GABRB3 2212/4885GABRA2 2404/4885GABRB2 1996/4885

“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.