SCHEMBL10026164

SCHEMBL10026164

[C-]#[N+]c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.52
GABRD O14764 20/20 0.52
GABRA1 P14867 20/20 0.52
GABRB1 P18505 20/20 0.52
GABRG2 P18507 20/20 0.52
GABRB3 P28472 20/20 0.52
GABRA5 P31644 20/20 0.52
GABRA3 P34903 20/20 0.52
GABRA2 P47869 20/20 0.52
GABRB2 P47870 20/20 0.52
GABRA4 P48169 20/20 0.52
GABRE P78334 20/20 0.52
GABRA6 Q16445 20/20 0.52
GABRG1 Q8N1C3 20/20 0.52
GABRG3 Q99928 20/20 0.52
GABRQ Q9UN88 20/20 0.52
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
SCHEMBL12993977 0.88 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12630585 0.85 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12473393 0.84 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7086645 0.83 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055617 0.82 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL33214 0.81 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14043505 0.81 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4751430 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
Fipronil SCHEMBL44222 0.79 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
Fipronil SCHEMBL15088 0.79 GABRP (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097603-B2 Compositions for controlling parasites on animals BAYER ANIMAL HEALTH GMBH (DE) 2012-01-17 US disclosed
US-7939565-B2 N2-[1,1-dimethyl-2-(methylsulphonyl)ethyl]-3-iodo-N1-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide and one or more of tebufenozide, deltamethrin,ethiprole, fipronil, indoxacarb, emamectin-benzoate, abamectin, spinosad BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
US-20080214634-A1 Active substance combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-7288572-B2 Active substance combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-20070015835-A1 Active substance combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (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-20080214634-A1 Active substance combinations having insecticidal and acaricidal properties ACHE, DDT, AADAC GABRP 447/4885GABRD 2472/4885GABRA1 1753/4885
US-20070015835-A1 Active substance combinations having insecticidal and acaricidal properties ACHE, DDT, AADAC GABRP 447/4885GABRD 2472/4885GABRA1 1753/4885

“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.