SCHEMBL7015227

SCHEMBL7015227

Nn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cc(F)ccc3[N+](=O)[O-])c(Cl)cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 5/20 0.35
BCAT2 O15382 4/20 0.35
HPGD P15428 2/20 0.34
HSPB1 P04792 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
ATM Q13315 2/20 0.33
TTR P02766 1/20 0.32
PPOX P50336 1/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 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
SCHEMBL7027089 0.93 HSPB1 (0.40) BCAT1BCAT2HPGDHSPB1MEN1
SCHEMBL6780468 0.93 HPGD (0.43) BCAT1BCAT2HPGDHSPB1MEN1
SCHEMBL7019065 0.89 MERTK (0.35) BCAT1BCAT2L3MBTL1MAPTLMNA
SCHEMBL7020145 0.85 BCAT1 (0.37) BCAT1BCAT2HPGD
SCHEMBL7026595 0.85 BCAT1 (0.41) BCAT1BCAT2HPGDHSPB1MEN1
SCHEMBL7015650 0.85 PDE7A (0.41) BCAT1BCAT2HSPB1MEN1KMT2A
SCHEMBL7021987 0.83 PDE7A (0.41) BCAT1BCAT2HSPB1MEN1KMT2A
SCHEMBL7015275 0.83 ALDH1A1 (0.42) BCAT1BCAT2MEN1KMT2ATDP1
SCHEMBL7025398 0.83 CYP1A2 (0.41) BCAT1BCAT2HSPB1MEN1KMT2A
SCHEMBL7024892 0.83 BCAT1 (0.43) BCAT1BCAT2ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP disclosed
US-6479435-B1 OR DIARYL SULFIDES, 1-(4-CHLORO-2-FLUORO-5-(2-PYRIMIDYLOXY)PHENYL)-4-DIFLUOROMETHY L-3-METHYL-1,4-DIHYDRO-1,2,4-TRIAZOLIN-5-ONE FOR EXAMPLE ISK AMERICAS INCORPORATED 2002-11-12 US disclosed
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them PULMAN DAVID A (US) 2002-10-31 US disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
EP-0973395-A4 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2001-10-04 EP disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
EP-0973395-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-01-26 EP disclosed
WO-1998041093-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1998-09-24 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-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them HDHD5, DDT, CBR3 BCAT1 1455/4885BCAT2 1131/4885HPGD 1405/4885

“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.