SCHEMBL7022221

SCHEMBL7022221

N#Cc1cccnc1Oc1cc(N2C(=O)[C@H]3CCCCN3C2=S)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PPOX P50336 3/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
GPR6 P46095 1/20 0.34
PDE4A P27815 1/20 0.33
F9 P00740 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL7022219 1.00 POLB (0.40) POLBPPOXKMT2AMEN1ALOX5AP
SCHEMBL7022227 1.00 POLB (0.40) POLBPPOXKMT2AMEN1ALOX5AP
SCHEMBL7019685 0.88 POLB (0.42) POLBPPOXKMT2AMEN1GPBAR1
SCHEMBL7019676 0.88 POLB (0.42) POLBPPOXKMT2AMEN1GPBAR1
SCHEMBL7019678 0.88 POLB (0.42) POLBPPOXKMT2AMEN1GPBAR1
SCHEMBL7620095 0.88 KMT2A (0.41) POLBPPOXKMT2AMEN1
SCHEMBL7620090 0.88 KMT2A (0.41) POLBPPOXKMT2AMEN1
SCHEMBL7620102 0.88 KMT2A (0.41) POLBPPOXKMT2AMEN1
SCHEMBL7018221 0.87 POLB (0.41) POLBPPOXKMT2AMEN1MALT1
SCHEMBL7018216 0.87 POLB (0.41) POLBPPOXKMT2AMEN1MALT1

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 POLB 2894/4885PPOX 1376/4885KMT2A 1350/4885

“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.