SCHEMBL2045898

SCHEMBL2045898

Oc1cc(Cl)nnc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
RAB9A P51151 1/20 0.38
TLR8 Q9NR97 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 4/20 0.33
ADORA2A P29274 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
P2RX1 P51575 1/20 0.32

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
SCHEMBL2050554 0.85 ADORA2A (0.49) RAB9ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2051389 0.76 POLB (0.38) CYP2C9NPSR1SMN1; SMN2
SCHEMBL2047791 0.74 S1PR2 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2048289 0.74 ALDH1A1 (0.41) RAB9ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2047575 0.74 CYP2C9 (0.47) RAB9ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2044869 0.73 MAPK1 (0.42) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2049643 0.73 MEN1 (0.40) CYP1A2CYP2C9CYP2C19NPSR1L3MBTL1
SCHEMBL2052359 0.72 SMN1; SMN2 (0.34) NPSR1SMN1; SMN2
SCHEMBL2048515 0.72 MAPK1 (0.36) CYP2C9L3MBTL1SMN1; SMN2
SCHEMBL2051362 0.72 MRGPRX1 (0.40) CYP1A2CYP2C19

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 6 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

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 JUN 4456/4885NFKB1 4021/4885NFKB2 3851/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 JUN 4544/4885NFKB1 4184/4885NFKB2 3785/4885

“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.