SCHEMBL2051441

SCHEMBL2051441

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN9A Q15858 3/20 0.32
SYK P43405 1/20 0.32
RORC P51449 2/20 0.32
GCK P35557 1/20 0.31
HTR6 P50406 2/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
NOTUM Q6P988 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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 0.90 ACHE (0.39) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2045785 0.89 MEN1 (0.40) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2044284 0.87 LMNA (0.37) BCHEHTR1ASLC6A2SLC6A4MEN1
SCHEMBL2046595 0.87 HTR1A (0.32) BCHEHTR1ASLC6A2SLC6A4SCN9A
SCHEMBL2046336 0.87 HTR1A (0.34) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2046452 0.87 KDM4E (0.40) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2051856 0.87 CNR2 (0.35) BCHEHTR1ASLC6A2SLC6A4SYK
SCHEMBL2051703 0.87 PTGIR (0.34) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2049142 0.86 HTR1A (0.35) HTR1ASLC6A2SLC6A4SYKRORC
SCHEMBL2048024 0.86 HTR1A (0.34) HTR1ASLC6A2SLC6A4SYKRORC

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 BCHE 432/4885HTR1A 1326/4885SLC6A2 3620/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 BCHE 485/4885HTR1A 2135/4885SLC6A2 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.