SCHEMBL7019530

SCHEMBL7019530

N#Cc1ccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)c(F)cc2Cl)nc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 8/20 0.38
BCAT1 P54687 8/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
SCN9A Q15858 1/20 0.32
NR3C1 P04150 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX3 P56373 2/20 0.31
SLC22A12 Q96S37 2/20 0.31
PRKDC P78527 1/20 0.30
GRM5 P41594 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
SCHEMBL7016115 0.89 L3MBTL1 (0.36) BCAT2BCAT1KMT2AP2RX3
SCHEMBL7015867 0.87 KMT2A (0.44) BCAT2BCAT1KMT2A
SCHEMBL7019610 0.86 L3MBTL1 (0.34) BCAT2BCAT1KMT2A
SCHEMBL7020665 0.85 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL7016233 0.83 HSPB1 (0.45) BCAT2BCAT1KMT2A
SCHEMBL7019647 0.83 MAPK8 (0.32) BCAT2BCAT1
SCHEMBL7020290 0.83 BCAT1 (0.37) BCAT2BCAT1KMT2AP2RX3
SCHEMBL7023687 0.82 BCAT1 (0.34) BCAT2BCAT1
SCHEMBL7015246 0.81 BCAT1 (0.59) BCAT2BCAT1
SCHEMBL7019152 0.81 L3MBTL1 (0.34) KMT2AP2RX3

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 BCAT2 1131/4885BCAT1 1455/4885ALOX5AP 2585/4885

“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.