SCHEMBL2048322

SCHEMBL2048322

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NOTUM Q6P988 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
OPRL1 P41146 1/20 0.33
GCK P35557 1/20 0.33
SCN9A Q15858 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PDE2A O00408 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 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
SCHEMBL2051607 0.93 RORC (0.37) RORCHTR1ASLC6A2SLC6A4NOTUM
SCHEMBL2051880 0.91 HTR1A (0.39) RORCHTR1ASLC6A2SLC6A4NOTUM
SCHEMBL2050486 0.91 ESR1 (0.41) RORCHTR1ASLC6A2SLC6A4
SCHEMBL2045391 0.90 RORC (0.35) RORCHTR1ASLC6A2SLC6A4SCN8A
SCHEMBL2050656 0.89 RAB9A (0.34) RORCHTR1ASLC6A2SLC6A4GPBAR1
SCHEMBL2047894 0.88 HTR1A (0.39) RORCHTR1ASLC6A2SLC6A4NOTUM
SCHEMBL4441314 0.88 KDM4E (0.36) RORCHTR1ASLC6A2SLC6A4NOTUM
SCHEMBL2047814 0.88 HTR1A (0.38) RORCHTR1ASLC6A2SLC6A4NOTUM
SCHEMBL2050374 0.87 HTR1A (0.40) RORCHTR1ASLC6A2SLC6A4NOTUM
SCHEMBL2048042 0.87 KMT2A (0.38) RORCHTR1ASLC6A2SLC6A4

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
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 RORC 2851/4885HTR1A 1326/4885SLC6A2 3620/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RORC 2800/4885HTR1A 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.