SCHEMBL7031385

SCHEMBL7031385

CCNc1c([S+](C)[O-])c(C(=N)NO)nn1-c1c(Cl)cc(C(F)(F)F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.34
GABRA2 P47869 11/20 0.34
GABRB2 P47870 11/20 0.34
GABRP O00591 5/20 0.33
GABRD O14764 5/20 0.33
GABRA1 P14867 5/20 0.33
GABRB1 P18505 5/20 0.33
GABRG2 P18507 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA4 P48169 5/20 0.33
GABRE P78334 5/20 0.33
GABRA6 Q16445 5/20 0.33
GABRG1 Q8N1C3 5/20 0.33
GABRG3 Q99928 5/20 0.33
GABRQ Q9UN88 5/20 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
SCHEMBL7027126 0.94 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7031386 0.86 GABRB3 (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7250513 0.85 GABRP (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7031333 0.84 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7026656 0.84 GABRB3 (0.33) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025818 0.84 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028447 0.83 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027163 0.82 GABRB3 (0.32) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028250 0.82 GABRB3 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7023334 0.81 GABRB3 (0.39) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638956-B2 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2003-10-28 US claimed
US-20030144251-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2003-07-31 US claimed
EP-0948485-B1 PESTICIDAL 1-ARYLPYRAZOLES AVENTIS CROPSCIENCE SA (FR) 2002-09-25 EP claimed
US-20020045758-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2002-04-18 US claimed
EP-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed
US-20030144251-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2003-07-31 US disclosed
US-6500850-B2 1-ARYLPYRAZOLE OXIME DERIVATIVES; SAFE SYSTEMIC INSECTICIDES FOR CONTROL OF ARTHROPOD, NEMATODE, HELMINTH OR PROTOZOAN PESTS RHONE-POULENC INC. 2002-12-31 US disclosed
EP-0948485-B1 PESTICIDAL 1-ARYLPYRAZOLES AVENTIS CROPSCIENCE SA (FR) 2002-09-25 EP disclosed
US-20020045758-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2002-04-18 US disclosed
US-6350771-B1 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2002-02-26 US disclosed
EP-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1999017613-A1 METHODE OF INSECT CONTROL RHONE-POULENC AGRO (FR) 1999-04-15 WO disclosed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 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-20020045758-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GABRB3 1485/4885GABRA2 2380/4885GABRB2 1699/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GABRB3 1485/4885GABRA2 2380/4885GABRB2 1699/4885

“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.