SCHEMBL2048338

SCHEMBL2048338

Oc1cc(Cl)nnc1Oc1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR1A P08908 1/20 0.37
ESR1 P03372 1/20 0.37
SCN9A Q15858 4/20 0.36
GCK P35557 1/20 0.34
SLC6A3 Q01959 1/20 0.33
PIN1 Q13526 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PPARG P37231 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
SCHEMBL2046457 0.90 GCK (0.43) ALDH1A1ESR1SCN9AGCKRAB9A
SCHEMBL2049660 0.88 ALDH1A1 (0.49) ALDH1A1ESR1GCKPIN1
SCHEMBL2053034 0.87 ALDH1A1 (0.39) TRPA1ALDH1A1ESR1SCN9APIN1
SCHEMBL2050136 0.83 HTR1A (0.41) SLC6A2SLC6A4ALDH1A1HTR1AESR1
SCHEMBL2048889 0.83 CHEK2 (0.36) SCN9AGCKRAB9A
SCHEMBL2052978 0.83 HTR1A (0.33) SLC6A2SLC6A4ALDH1A1HTR1AESR1
SCHEMBL2047088 0.81 RXRA (0.35) TRPA1ALDH1A1ESR1RAB9AL3MBTL1
SCHEMBL2051545 0.80 CA12 (0.42) ALDH1A1RAB9AL3MBTL1
SCHEMBL30161829 0.80 SCN9A (0.40) TRPA1EGLN1ALDH1A1SCN9ARAB9A
SCHEMBL2048850 0.80 TP53 (0.42) ALDH1A1RAB9AL3MBTL1

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 TRPA1 700/4885EGLN1 322/4885SLC6A2 3620/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 TRPA1 752/4885EGLN1 309/4885SLC6A2 3617/4885

“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.