SCHEMBL2047138

SCHEMBL2047138

CON=C(C)c1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 3/20 0.34
KCNMA1 Q12791 2/20 0.34
HIF1A Q16665 1/20 0.34
ADRA1A P35348 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL2047136 1.00 ALDH1A1 (0.38) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2049222 0.82 ADRA2A (0.38) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2050658 0.82 ALDH1A1 (0.35) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2047982 0.80 ALDH1A1 (0.56) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2053013 0.79 CA1 (0.44) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2048850 0.78 TP53 (0.42) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2048758 0.77 ALDH1A1 (0.37) ALDH1A1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2047260 0.77 LMNA (0.46) ALDH1A1RAB9AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL2046714 0.77 RAB9A (0.34) ALDH1A1RAB9AL3MBTL1KDM4EKCNMA1
SCHEMBL2046712 0.77 RAB9A (0.34) ALDH1A1RAB9AL3MBTL1KDM4EKCNMA1

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 5 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
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 ALDH1A1 447/4885RAB9A 2582/4885L3MBTL1 1259/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885RAB9A 3242/4885L3MBTL1 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.