SCHEMBL2047701

SCHEMBL2047701

CCOC(=O)CN(C)C(=O)Oc1cc(Cl)nnc1Oc1c(C)cccc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
ACHE P22303 5/20 0.34
BCHE P06276 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP2C9 P11712 3/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL2051585 0.92 PDCD1 (0.38) PDCD1CD274MEN1KMT2ANLRP3
SCHEMBL2045992 0.87 ACHE (0.39) ACHEMAOAMAOBKDM4ETSHR
SCHEMBL2048024 0.87 HTR1A (0.34) PDCD1CD274ACHEKDM4EHSD17B10
SCHEMBL2044721 0.86 ALOX5AP (0.36) PDCD1CD274NLRP3ALDH1A1ABCB11
SCHEMBL2044284 0.86 LMNA (0.37) ACHEBCHEMAOAMAOBMEN1
SCHEMBL2050213 0.86 ACHE (0.39) ACHEBCHEMEN1KMT2AKDM4E
SCHEMBL2044379 0.86 MAOB (0.34) ACHEBCHEMAOAMAOB
SCHEMBL2046595 0.84 HTR1A (0.32) ACHEBCHEMAOAMAOBRORC
SCHEMBL2046336 0.84 HTR1A (0.34) PDCD1CD274KMT2AKDM4EHSD17B10
SCHEMBL2051856 0.84 CNR2 (0.35) PDCD1CD274ACHEBCHECNR1

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-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 PDCD1 2372/4885CD274 3723/4885ACHE 48/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 PDCD1 2118/4885CD274 3510/4885ACHE 68/4885

“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.