SCHEMBL7673514

SCHEMBL7673514

C[S+]([O-])c1c(C(N)=S)nn(-c2c(Cl)cc(C(F)(F)F)cc2Br)c1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRP O00591 19/20 0.46
GABRD O14764 19/20 0.46
GABRA1 P14867 19/20 0.46
GABRB1 P18505 19/20 0.46
GABRG2 P18507 19/20 0.46
GABRB3 P28472 19/20 0.46
GABRA5 P31644 19/20 0.46
GABRA3 P34903 19/20 0.46
GABRA2 P47869 19/20 0.46
GABRB2 P47870 19/20 0.46
GABRA4 P48169 19/20 0.46
GABRE P78334 19/20 0.46
GABRA6 Q16445 19/20 0.46
GABRG1 Q8N1C3 19/20 0.46
GABRG3 Q99928 19/20 0.46
GABRQ Q9UN88 19/20 0.46
ALDH1A1 P00352 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
SCHEMBL7667746 0.92 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7030324 0.91 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7250518 0.89 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7675094 0.89 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5202801 0.89 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7250513 0.87 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8855400 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7673521 0.83 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL33214 0.81 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7027134 0.81 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 2002-02-07 US claimed
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 2002-02-07 US disclosed
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed
US-5691333-A APPLYING TO CONTROL ARTHROPODS AND NEMATODES RHONE-POULENC INC. (US) 1997-11-25 US disclosed
US-5629335-A Pesticidal 1-arylpyrazole-3-carboximidothioic acid esters RHONE-POULENC INC. (US) 1997-05-13 US 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 (1 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-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES DDT, NAT1, CYP2E1 GABRP 1003/4885GABRD 1930/4885GABRA1 1418/4885

“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.