SCHEMBL5222977

SCHEMBL5222977

Cn1nc(C(F)(F)F)cc1Oc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
PTGS1 P23219 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
TGFBR1 P36897 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.36
SCN9A Q15858 1/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
GRK5 P34947 1/20 0.35
LIMK1 P53667 1/20 0.35
EPAS1 Q99814 2/20 0.35
VEGFA P15692 1/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5227796 0.84 KMT2A (0.51) KMT2APTGS1GPR119TGFBR1ADORA2A
SCHEMBL3385197 0.76 TGFBR1 (0.42) KMT2AGPR119TGFBR1ADORA2AADORA1
SCHEMBL5216317 0.74 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1SCN9A
SCHEMBL5226326 0.73 KMT2A (0.43) KMT2APTGS1TGFBR1ADORA2AADORA1
SCHEMBL6281244 0.73 ADORA2A (0.50) KMT2APTGS1GPR119TGFBR1ADORA2A
SCHEMBL8871717 0.72 POLB (0.48) KMT2APTGS1GPR119ADORA2AADORA1
SCHEMBL8658906 0.72 KMT2A (0.49) KMT2APTGS1GPR119TGFBR1ADORA2A
SCHEMBL31166291 0.72 GPR119 (0.41) KMT2APTGS1GPR119TGFBR1ADORA2A
SCHEMBL6950881 0.71 ADORA2A (0.44) KMT2APTGS1GPR119TGFBR1ADORA2A
SCHEMBL5221402 0.70 KMT2A (0.47) KMT2ATGFBR1ADORA2AADORA1LMNA

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
EP-1866287-B1 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER IP GMBH (DE) 2016-09-21 EP disclosed
EP-1866287-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES Bayer CropScience AG (DE) 2007-12-19 EP disclosed
US-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides BAYER CROPSCIENCE GMBH (DE) 2006-10-05 US disclosed
WO-2006103003-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2006-10-05 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-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides DDT, CBR3, CYP1A1 KMT2A 1978/4885PTGS1 1197/4885GPR119 1144/4885

“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.