SCHEMBL2051133

SCHEMBL2051133

Cc1cccc(Oc2nnc(Cl)cc2O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.37
TLR8 Q9NR97 1/20 0.37
HPGD P15428 2/20 0.36
CDK2 P24941 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL2049704 0.82 TDP1 (0.44) ALDH1A1TDP1SMN1; SMN2TSHRHPGD
SCHEMBL2046500 0.81 TSHR (0.40) ALDH1A1TDP1SMN1; SMN2TSHRRAB9A
SCHEMBL2047890 0.81 HPGD (0.52) ALDH1A1TDP1SMN1; SMN2RAB9AHPGD
SCHEMBL2047125 0.80 KMT2A (0.33) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL2052233 0.80 RXRA (0.43) ALDH1A1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL2047940 0.80 MEN1 (0.47) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD
SCHEMBL2047088 0.78 RXRA (0.35) ALDH1A1TP53SMN1; SMN2RAB9AHPGD
SCHEMBL2046177 0.78 MEN1 (0.32) ALDH1A1TP53LMNAMEN1KMT2A
SCHEMBL2048521 0.77 HSP90AA1 (0.39) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
Cyclopropane SCHEMBL21800894 0.76 KMT2A (0.44) ALDH1A1SMN1; SMN2TSHRRAB9AHPGD

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 ALDH1A1 447/4885TDP1 3974/4885TP53 4121/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885TDP1 3924/4885TP53 3824/4885

“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.