SCHEMBL2051585

SCHEMBL2051585

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
NLRP3 Q96P20 3/20 0.32
LMNA P02545 2/20 0.32
DHODH Q02127 1/20 0.31
CYP2C9 P11712 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 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
SCHEMBL2047701 0.92 PDCD1 (0.39) PDCD1CD274NLRP3LMNACYP2C9
SCHEMBL2044284 0.91 LMNA (0.37) LMNAKDM4EMEN1KMT2AHSD17B10
SCHEMBL2051551 0.88 HRH2 (0.33) PDCD1CD274LMNADHODHCYP2C9
SCHEMBL2047748 0.88 ACHE (0.35) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL2050916 0.87 RECQL (0.33) ADORA3BLMHTR1ASLC6A2SLC6A4
SCHEMBL2044721 0.87 ALOX5AP (0.36) PDCD1CD274NLRP3LMNAALDH1A1
SCHEMBL2045992 0.86 ACHE (0.39) LMNAKDM4ETSHRGAANPSR1
SCHEMBL2048024 0.86 HTR1A (0.34) PDCD1CD274LMNAKDM4EHSD17B10
SCHEMBL2046836 0.86 POLB (0.33) LMNACYP2C9KDM4EMEN1CYP1A2
SCHEMBL2052187 0.86 JAK2 (0.32) ALDH1A1CNR1HTR1ASLC6A2SLC6A4

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 3723/4885NLRP3 2997/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 PDCD1 2118/4885CD274 3510/4885NLRP3 2975/4885

“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.