SCHEMBL6793507

SCHEMBL6793507

COc1c(Cl)cc(F)c(-n2ncc(C(F)(F)F)cc2=O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
NPBWR1 P48145 6/20 0.38
MCHR1 Q99705 3/20 0.38
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5382538 0.85 NPBWR1 (0.42) NPBWR1MCHR1L3MBTL1ALDH1A1GAA
SCHEMBL5391601 0.84 CYP3A4 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5388466 0.83 NPBWR1 (0.40) NPBWR1MCHR1L3MBTL1ALDH1A1GAA
SCHEMBL5388822 0.81 NPBWR1 (0.39) NPBWR1MCHR1L3MBTL1ALDH1A1GAA
SCHEMBL7559209 0.73 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5396106 0.73 KMT2A (0.37) NPBWR1MCHR1TDP1L3MBTL1ALDH1A1
SCHEMBL6794821 0.72 PPOX (0.44) NPBWR1MCHR1L3MBTL1ALDH1A1GAA
SCHEMBL5389343 0.71 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5437243 0.70 KDM4E (0.41) NPBWR1MCHR1MAPTCYP3A4
SCHEMBL5394876 0.70 L3MBTL1 (0.34) NPBWR1MCHR1L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029734-A1 Fused-benzene derivatives useful as herbicides ISHIHARA SANGYO KAISHA, LTD. 2004-02-12 US disclosed
US-6573218-B1 Defoliants containing such as uracil and 1,4-benzoxazole or benzthiazole moieties ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-06-03 US disclosed
EP-1111993-A4 FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES ISHIHARA SANGYO KAISHA (JP) 2002-12-04 EP disclosed
EP-1111993-A1 FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-07-04 EP disclosed
WO-2000013508-A1 FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-03-16 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-20040029734-A1 Fused-benzene derivatives useful as herbicides DDT, NQO2, DHRS9 GRIN2D 148/4885GRIN3B 1995/4885GRIN1 1012/4885

“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.