SCHEMBL2046356

SCHEMBL2046356

CC(=O)Oc1ccc(Oc2nnc(Cl)cc2Cl)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 5/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 4/20 0.37
GLA P06280 3/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX12 P18054 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL2045435 0.88 ACHE (0.40) ACHEKMT2AKDM4ELMNAGAA
SCHEMBL2044805 0.81 CYP3A4 (0.46) ACHEKMT2ALMNAGAAALDH1A1
SCHEMBL11577550 0.80 ACHE (0.54) ACHEKMT2AKDM4ELMNAGAA
SCHEMBL9505642 0.77 LMNA (0.55) ACHEKMT2AKDM4ELMNAGAA
SCHEMBL27991866 0.76 KDM4E (0.34) KMT2AKDM4ELMNAGAAGLA
SCHEMBL29535063 0.75 KDM4E (0.58) ACHEKMT2AKDM4ELMNAGAA
SCHEMBL2541390 0.75 KDM4E (0.58) ACHEKMT2AKDM4ELMNAGAA
SCHEMBL2045860 0.74 KMT2A (0.44) KMT2AKDM4EGAAGLAALDH1A1
SCHEMBL14700586 0.74 KMT2A (0.49) ACHEKMT2AKDM4ELMNAGAA
SCHEMBL1846855 0.73 MCL1 (0.57) ACHEKMT2AKDM4ELMNAGAA

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 ACHE 48/4885KMT2A 572/4885KDM4E 923/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ACHE 68/4885KMT2A 493/4885KDM4E 960/4885

“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.