SCHEMBL2049142

SCHEMBL2049142

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALOX15 P16050 1/20 0.34
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RORC P51449 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EP300 Q09472 1/20 0.31
HIF1A Q16665 1/20 0.31
CREBBP Q92793 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
GCK P35557 1/20 0.31
GLA P06280 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL2046336 0.91 HTR1A (0.34) HTR1ASLC6A2SLC6A4ALDH1A1RORC
SCHEMBL2048024 0.90 HTR1A (0.34) HTR1ASLC6A2SLC6A4ALOX15ALDH1A1
SCHEMBL2046207 0.89 GAA (0.36) HTR1ASLC6A2SLC6A4ALDH1A1RORC
SCHEMBL27862488 0.89 ALOX5AP (0.34) HTR1ASLC6A2SLC6A4ALDH1A1RORC
SCHEMBL2045785 0.89 MEN1 (0.40) HTR1ASLC6A2SLC6A4ALOX15ALDH1A1
SCHEMBL2052588 0.88 ATM (0.33) HTR1ASLC6A2SLC6A4ALDH1A1RORC
SCHEMBL27588876 0.87 HTR1A (0.34) HTR1ASLC6A2SLC6A4ALDH1A1RORC
SCHEMBL2044721 0.87 ALOX5AP (0.36) HTR1ASLC6A2SLC6A4CNR2ALDH1A1
SCHEMBL2045414 0.87 RORC (0.34) HTR1ASLC6A2SLC6A4CNR2ALDH1A1
SCHEMBL2048446 0.87 MAPT (0.34) HTR1ASLC6A2SLC6A4CNR2ALDH1A1

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 HTR1A 1326/4885SLC6A2 3620/4885SLC6A4 3104/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR1A 2135/4885SLC6A2 3617/4885SLC6A4 3163/4885

“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.