SCHEMBL2053030

SCHEMBL2053030

O=[N+]([O-])c1cccc(F)c1Oc1nnc(Cl)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.43
PIN1 Q13526 2/20 0.39
GPR35 Q9HC97 3/20 0.36
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 2/20 0.36
BLM P54132 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 2/20 0.36
GMNN O75496 1/20 0.36
TTR P02766 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2051795 0.88 MAPT (0.47) HSPB1GPR35MAPTALDH1A1MEN1
SCHEMBL2046500 0.85 TSHR (0.40) HSPB1PIN1GPR35MAPTALDH1A1
SCHEMBL2052978 0.84 HTR1A (0.33) ALDH1A1
SCHEMBL2050976 0.82 ALDH1A1 (0.37) HSPB1PIN1GPR35MAPTALDH1A1
SCHEMBL2051593 0.80 HTR1A (0.41) ALDH1A1GAA
SCHEMBL2047890 0.80 HPGD (0.52) PIN1MAPTALDH1A1MEN1KMT2A
SCHEMBL2049704 0.79 TDP1 (0.44) PIN1GPR35MAPTALDH1A1MEN1
SCHEMBL2051207 0.78 GCK (0.32) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2050136 0.76 HTR1A (0.41) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2046555 0.75 LMNA (0.33) HPGDLMNATHRBBLMCYP3A4

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 8 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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 HSPB1 2079/4885PIN1 2600/4885GPR35 2123/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HSPB1 2308/4885PIN1 2080/4885GPR35 2122/4885

“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.