SCHEMBL2045785

SCHEMBL2045785

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
RORC P51449 4/20 0.33
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOTUM Q6P988 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
SYK P43405 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RBP4 P02753 1/20 0.31
GCK P35557 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL2046336 0.90 HTR1A (0.34) KMT2AHTR1ASLC6A2SLC6A4RORC
SCHEMBL2046452 0.89 KDM4E (0.40) HTR1ASLC6A2SLC6A4RORCKDM4E
SCHEMBL27588844 0.89 L3MBTL1 (0.37) MEN1KMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2051441 0.89 BCHE (0.34) MEN1KMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2049142 0.89 HTR1A (0.35) MEN1KMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2048024 0.89 HTR1A (0.34) HTR1ASLC6A2SLC6A4RORCALOX15
SCHEMBL2046207 0.88 GAA (0.36) HTR1ASLC6A2SLC6A4RORCALDH1A1
SCHEMBL27862488 0.88 ALOX5AP (0.34) MEN1KMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2050550 0.88 MEN1 (0.34) MEN1KMT2ARORCALDH1A1L3MBTL1
SCHEMBL2046017 0.88 HTR1A (0.34) HTR1ASLC6A2SLC6A4RORCKDM4E

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 MEN1 4596/4885KMT2A 572/4885HTR1A 1326/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MEN1 4495/4885KMT2A 493/4885HTR1A 2135/4885

“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.