SCHEMBL7021987

SCHEMBL7021987

Nn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccc([N+](=O)[O-])cc3)c(Cl)cc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.41
HSPB1 P04792 3/20 0.40
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BCAT2 O15382 5/20 0.34
BCAT1 P54687 5/20 0.34
PLA2G7 Q13093 1/20 0.33
TTR P02766 1/20 0.33
PPOX P50336 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 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
SCHEMBL7015650 0.91 PDE7A (0.41) PDE7AHSPB1ALDH1A1MAPTMEN1
SCHEMBL7021661 0.88 BCAT1 (0.38) ALDH1A1MAPTKMT2ABCAT2BCAT1
SCHEMBL7018443 0.88 MEN1 (0.32) PDE7AMEN1KMT2ABCAT2BCAT1
SCHEMBL7025398 0.88 CYP1A2 (0.41) PDE7AHSPB1ALDH1A1MEN1KMT2A
SCHEMBL7016233 0.87 HSPB1 (0.45) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7019286 0.86 BCAT1 (0.46) BCAT2BCAT1
SCHEMBL6780468 0.85 HPGD (0.43) HSPB1ATMALDH1A1MAPTMEN1
SCHEMBL7020145 0.83 BCAT1 (0.37) BCAT2BCAT1
SCHEMBL7027089 0.83 HSPB1 (0.40) HSPB1MAPTMEN1KMT2ABCAT2
SCHEMBL7015227 0.83 BCAT1 (0.35) HSPB1ATMALDH1A1MAPTMEN1

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 PDE7A 4338/4885HSPB1 249/4885ATM 4787/4885

“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.