SCHEMBL6780468

SCHEMBL6780468

Nn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3[N+](=O)[O-])c(Cl)cc2F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
BCAT1 P54687 7/20 0.40
BCAT2 O15382 6/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HSPB1 P04792 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 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
SCHEMBL7027089 0.93 HSPB1 (0.40) HPGDBCAT1BCAT2LMNAHSPB1
SCHEMBL7015227 0.93 BCAT1 (0.35) HPGDBCAT1BCAT2LMNASMN1; SMN2
SCHEMBL7020145 0.89 BCAT1 (0.37) HPGDBCAT1BCAT2
SCHEMBL7026595 0.89 BCAT1 (0.41) HPGDBCAT1BCAT2SMN1; SMN2HSPB1
SCHEMBL7019065 0.89 MERTK (0.35) BCAT1BCAT2LMNAPOLBL3MBTL1
SCHEMBL7024892 0.88 BCAT1 (0.43) BCAT1BCAT2ATMGAA
SCHEMBL7015650 0.87 PDE7A (0.41) BCAT1BCAT2HSPB1MAPTGPR55
SCHEMBL7015275 0.87 ALDH1A1 (0.42) BCAT1BCAT2LMNASMN1; SMN2ATM
SCHEMBL7023372 0.86 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL7021987 0.85 PDE7A (0.41) BCAT1BCAT2ATMHSPB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455469-B1 SUBSTITUTED ACETANILIDE DERIVATIVE IN COMBINATION WITH OTHER HERBICIDE TO GIVE EFFECTIVE WEED CONTORL ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-09-24 US claimed
US-6806367-B2 CHEMICAL INTERMEDIATES; HERBICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-10-19 US disclosed
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-20030187264-A1 Process for producing carbonyl hydrazones ISHIHARA SANGYO KAISHA, LTD. 2003-10-02 US disclosed
US-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones ISHIHARA SANGYO KAISHA, LTD. 2003-05-22 US 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-6455469-B1 SUBSTITUTED ACETANILIDE DERIVATIVE IN COMBINATION WITH OTHER HERBICIDE TO GIVE EFFECTIVE WEED CONTORL ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-09-24 US disclosed
US-20020107148-A1 Herbicidal composition ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-08-08 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 (4 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-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones HPD, DDT, DPYD HPGD 377/4885BCAT1 2162/4885BCAT2 2188/4885
US-20020107148-A1 Herbicidal composition CPS1, HADHB, DDT HPGD 889/4885BCAT1 218/4885BCAT2 461/4885
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them HDHD5, DDT, CBR3 HPGD 1405/4885BCAT1 1455/4885BCAT2 1131/4885
US-20030187264-A1 Process for producing carbonyl hydrazones CBR3, CBR1, RCOR3 HPGD 2734/4885BCAT1 2027/4885BCAT2 1925/4885

“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.