SCHEMBL4092068

SCHEMBL4092068

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCCSc2ccccc2)c1SC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 15/20 0.39
GABRB2 P47870 15/20 0.39
GABRP O00591 14/20 0.39
GABRD O14764 14/20 0.39
GABRA1 P14867 14/20 0.39
GABRB1 P18505 14/20 0.39
GABRG2 P18507 14/20 0.39
GABRB3 P28472 14/20 0.39
GABRA5 P31644 14/20 0.39
GABRA3 P34903 14/20 0.39
GABRA4 P48169 14/20 0.39
GABRE P78334 14/20 0.39
GABRA6 Q16445 14/20 0.39
GABRG1 Q8N1C3 14/20 0.39
GABRG3 Q99928 14/20 0.39
GABRQ Q9UN88 14/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6055762 0.84 GABRB3 (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL3370802 0.82 GABRB3 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL14208660 0.80 GABRP (0.39) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL709428 0.79 GABRB3 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9161508 0.79 GABRA2 (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL4039283 0.79 GABRP (0.41) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL712966 0.79 GABRB3 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL5742653 0.78 GABRB3 (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6623244 0.77 GABRB3 (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7714908 0.77 GABRB3 (0.45) GABRA2GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517877-B2 5-substituted-alkylaminopyrazole derivatives as pesticides MERIAL LIMITED (US) 2009-04-14 US disclosed
US-20050182048-A1 5-substituted-alkylaminopyrazole derivatives as pesticides BAYER CORO SCIENCE S.A. (FR) 2005-08-18 US disclosed
EP-1483246-A1 5-SUBSTITUTED-ALKYLAMINOPYRAZOLE DERIVATIVES AS PESTICIDES Bayer CropScience S.A. (FR) 2004-12-08 EP disclosed
WO-2003074493-A1 5-SUBSTITUTED-ALKYLAMINOPYRAZOLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE S.A. (FR) 2003-09-12 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 (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-20050182048-A1 5-substituted-alkylaminopyrazole derivatives as pesticides DDT, PTMS, CYP3A5 GABRA2 474/4885GABRB2 625/4885GABRP 221/4885

“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.