SCHEMBL14958879

SCHEMBL14958879

N#Cc1nn(-c2c(F)cc(C(F)(F)F)cc2Cl)c(C(F)F)c1[S+]([O-])CF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.42
GABRA2 P47869 10/20 0.42
GABRB2 P47870 10/20 0.42
GABRP O00591 5/20 0.42
GABRD O14764 5/20 0.42
GABRA1 P14867 5/20 0.42
GABRB1 P18505 5/20 0.42
GABRG2 P18507 5/20 0.42
GABRA5 P31644 5/20 0.42
GABRA3 P34903 5/20 0.42
GABRA4 P48169 5/20 0.42
GABRE P78334 5/20 0.42
GABRA6 Q16445 5/20 0.42
GABRG1 Q8N1C3 5/20 0.42
GABRG3 Q99928 5/20 0.42
GABRQ Q9UN88 5/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL17320069 1.00 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2837413 0.88 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14958878 0.80 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL18165226 0.79 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2842481 0.78 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2841665 0.78 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2840056 0.77 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL17320068 0.77 GABRP (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2834371 0.77 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL12237528 0.76 GABRP (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9339033-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. (US) 2016-05-17 US disclosed
US-20150133506-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2015-05-14 US disclosed
US-8785372-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE 2014-07-22 US disclosed
US-8445519-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2013-05-21 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 (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-20150133506-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 GABRB3 1201/4885GABRA2 1488/4885GABRB2 1394/4885

“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.