SCHEMBL2048672

SCHEMBL2048672

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1cccnc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK8 P45983 4/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2046381 0.90 SCN1A (0.39) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL2051066 0.89 HTR1A (0.39) ALDH1A1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2046310 0.89 LMNA (0.40) TDP1ALDH1A1POLBHTR1ASLC6A2
SCHEMBL4441314 0.89 KDM4E (0.36) ALDH1A1GAAHTR1ASLC6A2SLC6A4
SCHEMBL2048042 0.88 KMT2A (0.38) ALDH1A1GAAHTR1ASLC6A2SLC6A4
SCHEMBL2049436 0.86 ALDH1A1 (0.40) TDP1ALDH1A1GAAPOLBHTR1A
SCHEMBL2051414 0.86 KMT2A (0.40) ALDH1A1GAAHTR1ASLC6A2SLC6A4
SCHEMBL2046788 0.86 ALDH1A1 (0.39) TDP1ALDH1A1GAAPOLBHTR1A
SCHEMBL2051434 0.85 ALDH1A1 (0.34) ALDH1A1POLBHTR1ASLC6A2SLC6A4
SCHEMBL2049057 0.84 AKR1C3 (0.38) MAPTL3MBTL1RAB9A

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 TDP1 3974/4885ALDH1A1 447/4885GAA 3326/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 TDP1 3924/4885ALDH1A1 762/4885GAA 3492/4885

“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.