SCHEMBL2051225

SCHEMBL2051225

COc1ccccc1C(=O)Oc1cc(Cl)nnc1Oc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44
XBP1 P17861 1/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL4440702 0.93 MEN1 (0.42) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2051588 0.91 KMT2A (0.47) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2052357 0.84 ESR1 (0.43) MAPTPOLBSMN1; SMN2RAB9AESR1
SCHEMBL2050503 0.84 KMT2A (0.45) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2044787 0.84 NPSR1 (0.38) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2046639 0.84 MAPT (0.48) NPSR1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2046805 0.83 RAB9A (0.47) NPSR1ALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL2048712 0.83 KMT2A (0.42) NPSR1MAPTALDH1A1POLBL3MBTL1
SCHEMBL2052430 0.82 POLB (0.43) NPSR1MAPTALDH1A1POLBL3MBTL1
SCHEMBL2048272 0.81 MEN1 (0.44) NPSR1MAPTALDH1A1POLBL3MBTL1

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 NPSR1 2143/4885MAPT 4175/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 NPSR1 2101/4885MAPT 3630/4885ALDH1A1 762/4885

“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.