SCHEMBL4167882

SCHEMBL4167882

CC(CF)Oc1c(CBr)c(C(F)(F)F)nn1C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4170216 0.87 ALOX5AP (0.31) CYP1A2CYP2C9CYP2C19ALOX5APFEN1
SCHEMBL4174748 0.84 ALOX5AP (0.31) CYP1A2CYP2C9CYP2C19ALOX5APFEN1
SCHEMBL1028460 0.84 ALOX5AP (0.32) CYP1A2CYP2C9CYP2C19CYP3A4ALOX5AP
SCHEMBL3753144 0.76 KMT2A (0.33) CYP1A2CYP2C9CYP2C19CYP3A4ALOX5AP
SCHEMBL5374117 0.75 ALOX5AP (0.33) CYP1A2CYP2C9CYP2C19ALOX5APFEN1
SCHEMBL4173053 0.74 ALOX5AP (0.34) CYP1A2CYP2C9CYP2C19CYP3A4ALOX5AP
SCHEMBL4171199 0.73 MAPK1 (0.34) ALOX5APFEN1
SCHEMBL4216676 0.72 ALOX5AP (0.33) CYP1A2CYP2C9CYP2C19ALOX5APFEN1
SCHEMBL537532 0.72 SMN1; SMN2 (0.35) CYP1A2CYP2C9CYP2C19CYP3A4ALOX5AP
SCHEMBL5378880 0.70 ALOX5AP (0.39) CYP1A2CYP2C9CYP2C19CYP3A4ALOX5AP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 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 (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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 CYP1A2 24/4885CYP2C9 67/4885CYP2C19 204/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 CYP1A2 31/4885CYP2C9 122/4885CYP2C19 349/4885

“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.