SCHEMBL2048889

SCHEMBL2048889

Oc1cc(Cl)nnc1Oc1cccc(C(F)(F)F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
SCN9A Q15858 2/20 0.34
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
P2RY1 P47900 1/20 0.33
GCK P35557 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 1/20 0.32
RAB9A P51151 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ULK1 O75385 1/20 0.31
EPHX2 P34913 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
SCHEMBL2048035 0.88 MRGPRX4 (0.40) SCN9AHPGDMRGPRX4CYP1A2CYP3A4
SCHEMBL2051362 0.88 MRGPRX1 (0.40) SCN9AHSD11B1HPGDP2RY1CYP1A2
SCHEMBL2046457 0.85 GCK (0.43) SCN9AGCKMRGPRX4CYP3A4RAB9A
SCHEMBL2048338 0.83 TRPA1 (0.40) SCN9AGCKRAB9A
SCHEMBL2047088 0.80 RXRA (0.35) HSD11B1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL2053034 0.80 ALDH1A1 (0.39) SCN9ACYP3A4CYP2C19RXRA
SCHEMBL2044730 0.78 TDP1 (0.41) P2RY1
SCHEMBL2049660 0.77 ALDH1A1 (0.49) HPGDGCK
SCHEMBL2050885 0.77 MRGPRX1 (0.38) HSD11B1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL2052233 0.76 RXRA (0.43) HPGDCYP1A2CYP3A4CYP2C19RAB9A

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 CHEK2 2934/4885SCN9A 1564/4885HSD11B1 586/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CHEK2 2729/4885SCN9A 1682/4885HSD11B1 696/4885

“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.