SCHEMBL921348

SCHEMBL921348

CCN(C)c1cc(C(F)(F)F)cc(N(C)CC)c1-n1nc(C#N)c(SC(F)(F)F)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 13/20 0.40
GABRD O14764 13/20 0.40
GABRA1 P14867 13/20 0.40
GABRB1 P18505 13/20 0.40
GABRG2 P18507 13/20 0.40
GABRB3 P28472 13/20 0.40
GABRA5 P31644 13/20 0.40
GABRA3 P34903 13/20 0.40
GABRA2 P47869 13/20 0.40
GABRB2 P47870 13/20 0.40
GABRA4 P48169 13/20 0.40
GABRE P78334 13/20 0.40
GABRA6 Q16445 13/20 0.40
GABRG1 Q8N1C3 13/20 0.40
GABRG3 Q99928 13/20 0.40
GABRQ Q9UN88 13/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL923074 0.94 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL923024 0.89 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055680 0.79 GABRB3 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15406 0.79 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12315444 0.78 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL924223 0.76 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2836959 0.75 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055781 0.74 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8024883 0.74 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL921049 0.74 GABRP (0.51) 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-7872038-B2 Low dosage oral veterinary medication; insects, arachnids and helminths MERIAL LIMITED (US) 2011-01-18 US disclosed
EP-1727805-B1 1-PHENYL AND 1-PYRIDYLPYRAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES MERIAL LTD (US) 2008-07-02 EP disclosed
US-20080064698-A1 1-Phenyl and 1-Pyridylpyrazole Derivatives and Their Use as Pesticides BAYER CROPSCIENCE S.A. (FR) 2008-03-13 US disclosed
EP-1727805-A1 1-PHENYL AND 1-PYRIDYLPYRAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience S.A. (FR) 2006-12-06 EP disclosed
WO-2005090314-A1 1-PHENYL AND 1-PYRIDYLPYRAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE S.A. (FR) 2005-09-29 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-20080064698-A1 1-Phenyl and 1-Pyridylpyrazole Derivatives and Their Use as Pesticides PIR, DDT, CYP4B1 GABRP 523/4885GABRD 2522/4885GABRA1 1185/4885

“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.