SCHEMBL2045116

SCHEMBL2045116

CCOCc1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SCN9A Q15858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
PLEC Q15149 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A4 P31645 6/20 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
SCHEMBL2047065 0.86 RECQL (0.36) CAMK2AMAPTALDH1A1NPSR1RECQL
SCHEMBL2046329 0.86 KMT2A (0.40) MAPTALDH1A1NPSR1KMT2AL3MBTL1
SCHEMBL2051836 0.84 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL2045691 0.82 ALOX5 (0.40) THRBSLC6A4SLC6A2SLC6A3
SCHEMBL2044425 0.81 MEN1 (0.45) MAPTALDH1A1NPSR1CYP1A2CYP2C19
SCHEMBL2049335 0.81 ALOX5 (0.45) MAPTCYP3A4KMT2AMEN1THRB
SCHEMBL2049044 0.80 GABRA1 (0.39) CAMK2AALDH1A1L3MBTL1SLC6A4SLC6A2
SCHEMBL2047668 0.80 CYP3A4 (0.43) ALDH1A1CYP1A2CYP3A4SMN1; SMN2KMT2A
SCHEMBL2046984 0.80 THRA (0.44) MAPTCYP3A4KMT2AMEN1THRB
SCHEMBL2047844 0.79 HTR1A (0.42) RECQLCYP3A4CYP2C19KMT2AMEN1

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 CAMK2A 2597/4885MAPT 4175/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CAMK2A 2198/4885MAPT 3630/4885ALDH1A1 762/4885

“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.