SCHEMBL2050503

SCHEMBL2050503

Cc1ccccc1Oc1nnc(Cl)cc1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2052357 0.93 ESR1 (0.43) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL4440702 0.88 MEN1 (0.42) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL2045860 0.88 KMT2A (0.44) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL2051588 0.87 KMT2A (0.47) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL2051225 0.84 NPSR1 (0.46) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL2046639 0.82 MAPT (0.48) KMT2AMAPTMEN1SMN1; SMN2ESR1
SCHEMBL2046325 0.82 KMT2A (0.40) KMT2AMAPTMEN1SMN1; SMN2SLC6A3
SCHEMBL2045877 0.82 RAB9A (0.44) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL2046170 0.82 MAPT (0.39) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2046831 0.81 KMT2A (0.36) KMT2AMAPTMEN1POLBESR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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 KMT2A 572/4885MAPT 4175/4885MEN1 4596/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KMT2A 493/4885MAPT 3630/4885MEN1 4495/4885

“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.