SCHEMBL2051744

SCHEMBL2051744

CC(=O)c1cccc(Oc2ccc(Cl)[n+]([O-])n2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 5/20 0.43
MAOA P21397 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMO O15229 1/20 0.41
F10 P00742 3/20 0.40
BRAF P15056 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
ALK Q9UM73 1/20 0.38
RAF1 P04049 1/20 0.38
F2 P00734 1/20 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
SCHEMBL2051438 0.85 LMNA (0.43) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL2051737 0.79 SMN1; SMN2 (0.40) KMT2AALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2053859 0.77 MEN1 (0.50) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL959081 0.74 L3MBTL1 (0.75) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL25620248 0.73 MEN1 (0.71) KMT2AMEN1ALDH1A1L3MBTL1MAOB
SCHEMBL11840624 0.73 MAOB (0.64) KMT2AMEN1HTTMAOBMAOA
SCHEMBL1122184 0.71 BRAF (0.56) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL564525 0.71 RAB9A (0.70) KMT2AMEN1ALDH1A1HTTMAOB
SCHEMBL5310793 0.70 MEN1 (0.70) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL6178868 0.69 KDM4E (0.63) KMT2AMEN1ALDH1A1HTTNPSR1

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 KMT2A 572/4885MEN1 4596/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KMT2A 493/4885MEN1 4495/4885ALDH1A1 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.