SCHEMBL2046595

SCHEMBL2046595

CON(C)C(=O)Oc1cc(Cl)nnc1Oc1c(C)cccc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAOB P27338 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
SCN9A Q15858 1/20 0.32
SYK P43405 1/20 0.31
RORC P51449 3/20 0.31
ACHE P22303 4/20 0.31
BCHE P06276 1/20 0.31
GCK P35557 1/20 0.31
IDO1 P14902 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL2045992 0.91 ACHE (0.39) HTR1ASLC6A2SLC6A4MAOBSYK
SCHEMBL2051856 0.88 CNR2 (0.35) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2051441 0.87 BCHE (0.34) HTR1ASLC6A2SLC6A4PDK2PDK4
SCHEMBL2049653 0.87 LIPE (0.39) SYKACHE
SCHEMBL2044284 0.86 LMNA (0.37) HTR1ASLC6A2SLC6A4MAOBACHE
SCHEMBL2046452 0.86 KDM4E (0.40) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2051703 0.86 PTGIR (0.34) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2046836 0.85 POLB (0.33) HTR1ASLC6A2SLC6A4PDK2PDK4
SCHEMBL2050916 0.85 RECQL (0.33) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2048446 0.85 MAPT (0.34) HTR1ASLC6A2SLC6A4PDK2PDK4

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 HTR1A 1326/4885SLC6A2 3620/4885SLC6A4 3104/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR1A 2135/4885SLC6A2 3617/4885SLC6A4 3163/4885

“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.