SCHEMBL2048834

SCHEMBL2048834

Cc1nc2cccc(Oc3nnc(Cl)cc3O)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.36
MAOB P27338 2/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 2/20 0.34
ESR1 P03372 1/20 0.34
MAPK10 P53779 1/20 0.34
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 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
SCHEMBL2050924 0.80 CGAS (0.42) ELANEMAOBMAPTALDH1A1TP53
SCHEMBL2047088 0.78 RXRA (0.35) MAOBMAPTKMT2AESR1KDM4E
SCHEMBL2047757 0.77 TRPA1 (0.38) MAOBMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL2049429 0.76 HPGD (0.47) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL2052233 0.74 RXRA (0.43) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2049815 0.74 HSD11B1 (0.39) ALDH1A1
SCHEMBL2047940 0.74 MEN1 (0.47) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2048850 0.73 TP53 (0.42) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2049679 0.73 ALDH1A1 (0.40) MAOBMAPTKMT2AKDM4EALDH1A1
SCHEMBL2046372 0.73 PTGS2 (0.52) ELANEMAPTKMT2AKDM4EALDH1A1

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 ELANE 3937/4885MAOB 1846/4885MAPT 4175/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ELANE 4196/4885MAOB 2276/4885MAPT 3630/4885

“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.