SCHEMBL3198073

SCHEMBL3198073

CC(C)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.42
GABRA2 P47869 15/20 0.42
GABRB2 P47870 15/20 0.42
GABRP O00591 12/20 0.42
GABRD O14764 12/20 0.42
GABRA1 P14867 12/20 0.42
GABRB1 P18505 12/20 0.42
GABRG2 P18507 12/20 0.42
GABRA5 P31644 12/20 0.42
GABRA3 P34903 12/20 0.42
GABRA4 P48169 12/20 0.42
GABRE P78334 12/20 0.42
GABRA6 Q16445 12/20 0.42
GABRG1 Q8N1C3 12/20 0.42
GABRG3 Q99928 12/20 0.42
GABRQ Q9UN88 12/20 0.42
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
SCHEMBL3202450 0.83 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3257450 0.81 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3189825 0.80 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7812275 0.77 GABRB3 (0.55) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704854 0.76 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9211808 0.75 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705750 0.73 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9209787 0.73 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704033 0.73 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704055 0.72 GABRB3 (0.42) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678923-B2 Method for synthesizing 5-chloro-1-aryl-4-(4,5-dicyano-1h-imidazol-2-yl)-3-alkyl-1h-pyrazole derivatives EVULTIS (CH) 2010-03-16 US disclosed
US-20070155811-A1 Method for synthesing 5-chloro-1-aryl-4-(4,5-dicyano-1h-imidazol-2-yl)-3-alkyl-1h-pyrazole derivatives EVULTIS (CH) 2007-07-05 US disclosed
EP-1618104-B1 METHOD FOR SYNTHESISING 5-CHLORO-1-ARYL-4-(4, 5-DICYANO-1H-IMIDAZOL-2-YL)-3-ALKYL-1H-PYRAZOLE DERIVATIVES EVULTIS (CH) 2007-06-20 EP disclosed
EP-1618104-A1 METHOD FOR SYNTHESISING 5-CHLORO-1-ARYL-4-(4, 5-DICYANO-1H-IMIDAZOL-2-YL)-3-ALKYL-1H-PYRAZOLE DERIVATIVES Evultis (CH) 2006-01-25 EP disclosed
WO-2004092159-A1 METHOD FOR SYNTHESISING 5-CHLORO-1-ARYL-4-(4, 5-DICYANO-1H-IMIDAZOL-2-YL)-3-ALKYL-1H-PYRAZOLE DERIVATIVES EVULTIS (CH) 2004-10-28 WO disclosed
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
CN-1025582-C Azole pesticides SCHERING AGROCHEMICALS LTD (GB) 1994-08-10 CN disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 CN disclosed
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP 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-20070155811-A1 Method for synthesing 5-chloro-1-aryl-4-(4,5-dicyano-1h-imidazol-2-yl)-3-alkyl-1h-pyrazole derivatives CYP3A5, CYP4B1, AADAC GABRB3 1154/4885GABRA2 1786/4885GABRB2 1709/4885

“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.