Sugi Predict

Sugi Predict / Compounds / SCHEMBL7030306

SCHEMBL7030306

SCHEMBL7030306

C[S+]([O-])c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 19/20 0.45
▸ GABRA2 P47869 17/20 0.45
▸ GABRB2 P47870 17/20 0.45
▸ GABRP O00591 14/20 0.45
▸ GABRD O14764 14/20 0.45
▸ GABRA1 P14867 14/20 0.45
▸ GABRB1 P18505 14/20 0.45
▸ GABRG2 P18507 14/20 0.45
▸ GABRA5 P31644 14/20 0.45
▸ GABRA3 P34903 14/20 0.45
▸ GABRA4 P48169 14/20 0.45
▸ GABRE P78334 14/20 0.45
▸ GABRA6 Q16445 14/20 0.45
▸ GABRG1 Q8N1C3 14/20 0.45
▸ GABRG3 Q99928 14/20 0.45
▸ GABRQ Q9UN88 14/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5207402 0.86 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202654 0.85 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7022433 0.85 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7030399 0.84 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025320 0.83 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028449 0.83 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7023966 0.82 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5207576 0.82 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028447 0.82 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5370578 0.82 GABRB3 (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638956-B2 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2003-10-28 — — US disclosed
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-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.