SCHEMBL2051737

SCHEMBL2051737

CC(=O)c1ccc(Oc2ccc(Cl)[n+]([O-])n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ESRRA P11474 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL2054136 0.84 KMT2A (0.39) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL2051744 0.79 KMT2A (0.50) SMN1; SMN2ALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL13002435 0.69 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2051438 0.68 LMNA (0.43) SMN1; SMN2ALDH1A1LMNAKMT2APOLB
SCHEMBL2051842 0.68 ESRRA (0.41) SMN1; SMN2ALDH1A1LMNAPOLBMAPT
SCHEMBL2051320 0.68 NPSR1 (0.32) SMN1; SMN2ALDH1A1LMNAKMT2ARAB9A
SCHEMBL3721868 0.67 PDE4B (0.48) ALDH1A1HPGDKMT2APOLBMAPT
SCHEMBL195793 0.66 ALDH1A1 (0.56) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL31003218 0.66 ALDH1A1 (0.56) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL11305006 0.66 TTR (0.54) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A

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 SMN1; SMN2 3918/4885ALDH1A1 447/4885LMNA 3969/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 SMN1; SMN2 3931/4885ALDH1A1 762/4885LMNA 3977/4885

“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.