SCHEMBL6281955

SCHEMBL6281955

COc1cc(-c2nn(C)c(=S)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.37
PDE10A Q9Y233 2/20 0.33
TDP2 O95551 1/20 0.33
PDE2A O00408 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HSP90AA1 P07900 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SCN9A Q15858 2/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL6281325 0.84 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL6279369 0.84 RORC (0.31)
SCHEMBL8426108 0.82 BRD4 (0.33) BRD4
SCHEMBL8192247 0.74 PPOX (0.36) PPOXHTR2AHTR2CHTR2BMAPT
SCHEMBL5398257 0.73 CYP1A2 (0.35) PPOXPDE10APDE2AHTR2AHTR2C
SCHEMBL9530563 0.73 PTGS2 (0.39) PPOXPDE10APDE2AMAPTALDH1A1
SCHEMBL7487729 0.72 MAPT (0.41) PPOXHTR2AHTR2CMAPTNPSR1
SCHEMBL7489274 0.72 HSP90AB1 (0.38) PPOXPDE10APDE2AMAPTNPSR1
SCHEMBL8035641 0.72 HSP90AA1 (0.34) PPOXPDE10APDE2ANPSR1HSP90AA1
SCHEMBL9531883 0.71 ALDH1A1 (0.34) PPOXPDE10APDE2AMAPTALDH1A1

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 7 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
US-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-07-10 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 (3 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-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT PPOX 745/4885PDE10A 3779/4885TDP2 2379/4885
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT PPOX 731/4885PDE10A 3803/4885TDP2 2407/4885
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, HDHD5, DDT PPOX 1090/4885PDE10A 3756/4885TDP2 2576/4885

“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.