SCHEMBL2052549

SCHEMBL2052549

Oc1cc(Cl)nnc1Oc1ccc(C2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
NPBWR1 P48145 1/20 0.35
ESR2 Q92731 9/20 0.35
ESR1 P03372 6/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
KCNH2 Q12809 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PANK3 Q9H999 1/20 0.33
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 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
SCHEMBL2047626 0.85 HTR2C (0.38) KCNH2
SCHEMBL2044869 0.81 MAPK1 (0.42) CYP2C9MAPK1HAO1CRHBPCRHR2
SCHEMBL2051527 0.78 LTA4H (0.44) CYP2C9MAPK1CRHBPCRHR2LMNA
SCHEMBL2047791 0.78 S1PR2 (0.41) MCHR1NPBWR1CYP2C9CYP3A4MAPK1
SCHEMBL2049656 0.78 KMT2A (0.43) CYP2C9MAPK1CRHBPCRHR2LMNA
SCHEMBL2049643 0.78 MEN1 (0.40) CYP2C9CYP3A4MAPK1CRHBPCRHR2
SCHEMBL2046538 0.76 PTPN1 (0.40) NPBWR1CYP2C9MAPK1CRHBPCRHR2
SCHEMBL2048515 0.76 MAPK1 (0.36) CYP2C9MAPK1CRHBPCRHR2LMNA
SCHEMBL2051525 0.75 HTR1A (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL2048289 0.75 ALDH1A1 (0.41) CYP2C9CYP3A4MAPK1CYP2D6LMNA

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 MCHR1 1713/4885NPBWR1 1146/4885ESR2 2118/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MCHR1 1732/4885NPBWR1 926/4885ESR2 1700/4885

“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.