SCHEMBL2045172

SCHEMBL2045172

COc1cccc(Br)c1Oc1nnc(Cl)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LY96 Q9Y6Y9 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
MAOB P27338 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL2051380 0.90 ALDH1A1 (0.41) ALOX15ALOX12ALDH1A1LMNARAB9A
SCHEMBL2046717 0.87 POLB (0.31) ALOX15KMT2APOLB
SCHEMBL2048736 0.86 ALDH1A1 (0.40) ALOX15ALOX12ALDH1A1LMNARAB9A
SCHEMBL2047459 0.85 ALDH1A1 (0.37) ALOX15ALOX12ALDH1A1LMNARAB9A
SCHEMBL2050136 0.84 HTR1A (0.41) ALOX15ALOX12ALDH1A1LMNARAB9A
SCHEMBL2046126 0.84 HSP90AA1 (0.32) ALDH1A1HSP90AA1
SCHEMBL2047341 0.83 RARG (0.33) TSHR
SCHEMBL2051301 0.83 LMNA (0.40) ALOX15ALDH1A1LMNARAB9AMAPT
SCHEMBL2044083 0.83 ALOX15 (0.35) ALOX15ALOX12ALDH1A1LMNAMAPT
SCHEMBL2053013 0.82 CA1 (0.44) ALOX15ALOX12ALDH1A1LMNARAB9A

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 ALOX15 3730/4885ALOX12 3265/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALOX15 4178/4885ALOX12 3640/4885ALDH1A1 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.