Sugi Predict

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SCHEMBL7023345

SCHEMBL7023345

CCSc1c(C#N)nn(-c2c(Cl)cc(OC(F)(F)F)cc2Cl)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 19/20 0.43
▸ GABRD O14764 19/20 0.43
▸ GABRA1 P14867 19/20 0.43
▸ GABRB1 P18505 19/20 0.43
▸ GABRG2 P18507 19/20 0.43
▸ GABRB3 P28472 19/20 0.43
▸ GABRA5 P31644 19/20 0.43
▸ GABRA3 P34903 19/20 0.43
▸ GABRA2 P47869 19/20 0.43
▸ GABRB2 P47870 19/20 0.43
▸ GABRA4 P48169 19/20 0.43
▸ GABRE P78334 19/20 0.43
▸ GABRA6 Q16445 19/20 0.43
▸ GABRG1 Q8N1C3 19/20 0.43
▸ GABRG3 Q99928 19/20 0.43
▸ GABRQ Q9UN88 19/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7670542 0.88 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7027964 0.88 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5206325 0.86 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2839167 0.86 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2836868 0.85 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7713381 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751331 0.80 GABRA2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8187661 0.79 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6554034 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7024338 0.77 GABRP (0.43) 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-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 GABRP 1208/4885GABRD 2403/4885GABRA1 1171/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GABRP 1208/4885GABRD 2403/4885GABRA1 1171/4885

“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.