SCHEMBL2046504

SCHEMBL2046504

COc1ccc([N+](=O)[O-])cc1Oc1nnc(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNMA1 Q12791 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 1/20 0.42
PTGS2 P35354 1/20 0.42
MPI P34949 1/20 0.41
LMNA P02545 2/20 0.41
TTR P02766 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL2048919 0.80 SLC6A2 (0.39) KCNMA1MAPTNPC1RAB9AHPGD
SCHEMBL2045078 0.79 ACHE (0.49) TDP1KCNMA1SMN1; SMN2MAPTNPC1
SCHEMBL2047981 0.79 CA12 (0.49) TDP1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2049495 0.78 RAB9A (0.39) SMN1; SMN2MAPTNPC1RAB9ACYP1A2
SCHEMBL2050928 0.78 WDR5 (0.38) HTTTDP1SMN1; SMN2MAPTHPGD
SCHEMBL2051850 0.77 ABCG2 (0.46) TDP1MAPTHPGDCYP2C9CYP2C19
SCHEMBL2053013 0.77 CA1 (0.44) HTTSMN1; SMN2MAPTRAB9AHPGD
SCHEMBL2045892 0.76 MAPT (0.52) PKMSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2047890 0.75 HPGD (0.52) HTTTDP1SMN1; SMN2MAPTNPC1
Methyl Alcohol SCHEMBL27770206 0.74 HTT (0.68) HTTPKMTDP1SMN1; SMN2MAPT

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 HTT 724/4885PKM 209/4885TDP1 3974/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTT 522/4885PKM 253/4885TDP1 3924/4885

“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.