SCHEMBL2051660

SCHEMBL2051660

Oc1cc(Cl)nnc1Oc1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RORB Q92753 3/20 0.44
RORC P51449 2/20 0.44
PTPN5 P54829 2/20 0.44
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL2051550 0.84 NCOA1 (0.40) KDM4EMAPTL3MBTL1HPGDALDH1A1
SCHEMBL2050554 0.79 ADORA2A (0.49) KDM4EMAPTL3MBTL1ALDH1A1POLB
SCHEMBL2051362 0.77 MRGPRX1 (0.40) HPGDTHRATHRB
SCHEMBL2048035 0.75 MRGPRX4 (0.40) KDM4EHPGDALDH1A1NPSR1
SCHEMBL2047088 0.75 RXRA (0.35) KDM4EMAPTL3MBTL1HPGDALDH1A1
SCHEMBL2050885 0.75 MRGPRX1 (0.38) L3MBTL1HPGDALDH1A1
SCHEMBL2045759 0.75 ADRA2A (0.41) ADORA2A
SCHEMBL2048889 0.74 CHEK2 (0.36) HPGD
SCHEMBL2048850 0.74 TP53 (0.42) KDM4EMAPTL3MBTL1HPGDALDH1A1
SCHEMBL31532178 0.73 ALOX5AP (0.45) KDM4EMAPTL3MBTL1RORBRORC

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 KDM4E 923/4885MAPT 4175/4885L3MBTL1 1259/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KDM4E 960/4885MAPT 3630/4885L3MBTL1 1659/4885

“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.