SCHEMBL6282407

SCHEMBL6282407

Cn1c(=S)n(C)c(=O)n(-c2cc(Oc3ncccn3)c(Cl)cc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.35
GRM4 Q14833 6/20 0.34
PPOX P50336 6/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 2/20 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
SCHEMBL6280511 0.82 BCAT1 (0.34) ALDH1A1HPGD
SCHEMBL7018779 0.82 PDE4B (0.35) ALDH1A1HPGDPPOXMEN1GAA
SCHEMBL10579206 0.81 BCAT1 (0.35) ALDH1A1HPGDGRM4PPOXGAA
SCHEMBL29195290 0.77 PPOX (0.42) ALDH1A1HPGDPPOXMEN1GAA
SCHEMBL29195294 0.75 LMNA (0.50) ALDH1A1HPGDPPOXMEN1GAA
SCHEMBL29195240 0.74 PPOX (0.39) PPOXGAAMAPT
SCHEMBL7248396 0.74 HSP90AA1 (0.33) HPGDGRM4MEN1MAPTKMT2A
SCHEMBL7254631 0.74 PPOX (0.43) ALDH1A1HPGDPPOXGAAMAPT
SCHEMBL7254636 0.74 PPOX (0.43) ALDH1A1HPGDPPOXGAAMAPT
SCHEMBL6281325 0.73 ALDH1A1 (0.34) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US disclosed
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-12-30 US disclosed
EP-1432692-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-30 EP disclosed
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-10-16 US disclosed
US-6613718-B2 2,3-Dihydro-2-thioxo-pyrimidinone derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-02 US disclosed
WO-2003029225-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-10 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 (2 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-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT ALDH1A1 906/4885HPGD 2705/4885GRM4 1928/4885
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, HDHD5, DDT ALDH1A1 943/4885HPGD 3003/4885GRM4 1534/4885

“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.