SCHEMBL2053859

SCHEMBL2053859

CC(=O)c1cccc(Oc2ccc(Cl)n[n+]2[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOB P27338 11/20 0.43
MAOA P21397 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F10 P00742 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALK Q9UM73 1/20 0.38
KMO O15229 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL2050923 0.85 CYP3A4 (0.43) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL2051744 0.77 KMT2A (0.50) MEN1KMT2AMAOBMAOAL3MBTL1
SCHEMBL25620248 0.73 MEN1 (0.71) MEN1KMT2AMAOBMAOAL3MBTL1
SCHEMBL959081 0.71 L3MBTL1 (0.75) MEN1KMT2AMAOBMAOAL3MBTL1
SCHEMBL11840624 0.70 MAOB (0.64) MEN1KMT2AMAOBMAOAHTT
SCHEMBL2350424 0.69 AKR1C3 (0.72) MEN1KMT2AMAOBALDH1A1HTT
SCHEMBL2045984 0.68 MEN1 (0.52) MEN1KMT2AMAOBMAOAL3MBTL1
SCHEMBL1122184 0.68 BRAF (0.56) MEN1KMT2AMAOBMAOAL3MBTL1
SCHEMBL11833791 0.68 MEN1 (0.55) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL564525 0.68 RAB9A (0.70) MEN1KMT2AMAOBMAOAALDH1A1

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 MEN1 4596/4885KMT2A 572/4885MAOB 1846/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MEN1 4495/4885KMT2A 493/4885MAOB 2276/4885

“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.