SCHEMBL2050550

SCHEMBL2050550

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)C(C)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
PTGDR Q13258 1/20 0.33
GHSR Q92847 7/20 0.33
FAAH O00519 1/20 0.32
RORC P51449 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2045785 0.88 MEN1 (0.40) MEN1KMT2APTGDR2L3MBTL1RORC
SCHEMBL27588844 0.87 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1RORCALDH1A1
SCHEMBL2050775 0.87 FAAH (0.33) L3MBTL1FAAHRORCALDH1A1
SCHEMBL2047457 0.85 L3MBTL1 (0.41) RAB9APTGDR2L3MBTL1MAPTALDH1A1
SCHEMBL2046831 0.84 KMT2A (0.36) MEN1KMT2AMAPTRORCALDH1A1
SCHEMBL2046336 0.84 HTR1A (0.34) KMT2ASMN1; SMN2L3MBTL1RORCALDH1A1
SCHEMBL2051835 0.84 CCNA2 (0.37) L3MBTL1RORCALDH1A1
SCHEMBL2046452 0.83 KDM4E (0.40) TSHRMAPK1L3MBTL1RORCALDH1A1
SCHEMBL2049142 0.83 HTR1A (0.35) MEN1KMT2ASMN1; SMN2RORCALDH1A1
SCHEMBL2051441 0.83 BCHE (0.34) MEN1KMT2ARORCALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 572/4885TSHR 603/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MEN1 4495/4885KMT2A 493/4885TSHR 600/4885

“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.