SCHEMBL2051835

SCHEMBL2051835

COC(C(=O)Oc1cc(Cl)nnc1Oc1c(C)cccc1C1CC1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.33
RORC P51449 3/20 0.32
GAA P10253 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
IDO1 P14902 1/20 0.31
PSMB5 P28074 1/20 0.31
SCN9A Q15858 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
SCHEMBL27588844 0.89 L3MBTL1 (0.37) CCNA2CDK2CCNA1L3MBTL1ALDH1A1
SCHEMBL2045785 0.86 MEN1 (0.40) L3MBTL1ALDH1A1NPSR1RORCHTR1A
SCHEMBL2046831 0.84 KMT2A (0.36) ALDH1A1RORCHTR1ASLC6A2SLC6A4
SCHEMBL2046336 0.84 HTR1A (0.34) L3MBTL1ALDH1A1LMNARORCHTR1A
SCHEMBL2050550 0.84 MEN1 (0.34) L3MBTL1ALDH1A1RORC
SCHEMBL2046452 0.83 KDM4E (0.40) L3MBTL1ALDH1A1RORCHTR1ASLC6A2
SCHEMBL2045219 0.83 HTR1A (0.32) RORCHTR1ASLC6A2SLC6A4IDO1
SCHEMBL2050775 0.83 FAAH (0.33) L3MBTL1ALDH1A1RORCHTR1ASLC6A2
SCHEMBL2052588 0.83 ATM (0.33) L3MBTL1ALDH1A1NPSR1LMNARORC
SCHEMBL4441314 0.83 KDM4E (0.36) ALDH1A1NPSR1LMNARORCGAA

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 CCNA2 1720/4885CDK2 561/4885CCNA1 1765/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CCNA2 1421/4885CDK2 390/4885CCNA1 1504/4885

“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.