SCHEMBL2046765

SCHEMBL2046765

COc1cc(Cl)nnc1Oc1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 2/20 0.52
ADRA2B P18089 1/20 0.52
PTGS1 P23219 1/20 0.52
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 3/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 1/20 0.40
RCE1 Q9Y256 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL2046805 0.83 RAB9A (0.47) ALDH1A1CYP1A2CYP2C19HSP90AA1HSP90AB1
SCHEMBL2051697 0.81 TP53 (0.52) ALDH1A1CYP3A4CYP1A2CYP2C19HSP90AA1
SCHEMBL2048003 0.79 IDO1 (0.40) ALDH1A1HSP90AA1HSP90AB1RAB9AL3MBTL1
SCHEMBL15577470 0.75 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2C19HSP90AA1
SCHEMBL2047078 0.75 L3MBTL1 (0.42) ALDH1A1HSP90AA1HSP90AB1GAARAB9A
SCHEMBL2045004 0.75 ADRA2A (0.39) ALDH1A1TDP1ADRA2BMAPTLMNA
SCHEMBL2046961 0.74 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL2046380 0.74 ABCB1 (0.44) ALDH1A1HSP90AA1HSP90AB1RAB9AL3MBTL1
SCHEMBL2053013 0.73 CA1 (0.44) ALDH1A1CYP3A4HSP90AA1HSP90AB1GAA
SCHEMBL2047886 0.72 MEN1 (0.50) ALDH1A1CYP1A2CYP2C19GAARAB9A

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 ALDH1A1 447/4885TDP1 3974/4885ADRA2B 736/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885TDP1 3924/4885ADRA2B 1077/4885

“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.