SCHEMBL2051832

SCHEMBL2051832

Oc1cc(Cl)nnc1Oc1ccccc1C1OCCO1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2047443 0.83 HTR1A (0.41) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2045621 0.81 LMNA (0.32) RAB9AL3MBTL1ALDH1A1HTR1ASLC6A2
SCHEMBL2049228 0.81 ADRA2A (0.40) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2051868 0.81 KDM1A (0.35) RAB9AL3MBTL1ALDH1A1HTR1ASLC6A2
SCHEMBL2046414 0.81 HTR1A (0.40) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2050922 0.80 TP53 (0.32) RAB9AL3MBTL1ALDH1A1HTR1ASLC6A2
SCHEMBL2051866 0.80 PTGDR2 (0.42) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2046257 0.80 LMNA (0.31) RAB9AL3MBTL1ALDH1A1HTR1ASLC6A2
SCHEMBL2049615 0.79 LMNA (0.30) RAB9AL3MBTL1ALDH1A1HTR1ASLC6A2
SCHEMBL2048723 0.78 LMNA (0.30)

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 RAB9A 2582/4885NPC1 4734/4885L3MBTL1 1259/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RAB9A 3242/4885NPC1 4829/4885L3MBTL1 1659/4885

“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.