SCHEMBL2834331

SCHEMBL2834331

CCOC(=O)c1nn(-c2c(F)cc(C(F)(F)F)cc2Cl)c(C)c1SC(F)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 7/20 0.49
GABRA2 P47869 5/20 0.49
GABRB2 P47870 5/20 0.49
GABRP O00591 3/20 0.49
GABRD O14764 3/20 0.49
GABRA1 P14867 3/20 0.49
GABRB1 P18505 3/20 0.49
GABRG2 P18507 3/20 0.49
GABRA5 P31644 3/20 0.49
GABRA3 P34903 3/20 0.49
GABRA4 P48169 3/20 0.49
GABRE P78334 3/20 0.49
GABRA6 Q16445 3/20 0.49
GABRG1 Q8N1C3 3/20 0.49
GABRG3 Q99928 3/20 0.49
GABRQ Q9UN88 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL15329104 0.93 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL16558042 0.91 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL15339720 0.86 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2837895 0.83 MEN1 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28344742 0.82 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL15329426 0.80 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711355 0.77 GABRP (0.64) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2836888 0.77 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2837689 0.76 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9193470 0.74 GABRB3 (0.52) 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 10 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
EP-2035390-B1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL INC (US) 2015-12-09 EP 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-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2013-12-05 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
EP-2465851-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof Aventis Agriculture (FR) 2012-06-20 EP disclosed
US-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF MERIAL, INC. 2010-09-30 US disclosed
US-7759381-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2010-07-20 US disclosed
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. 2008-02-07 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 (4 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-20100249194-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
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof CBR3, CBR1, NR5A2 GABRB3 1160/4885GABRA2 1437/4885GABRB2 1325/4885
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
US-20130324457-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.