SCHEMBL2051545

SCHEMBL2051545

COC(=O)c1c(F)cccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
POLB P06746 1/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
CCR2 P41597 1/20 0.38
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90B1 P14625 2/20 0.36

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
SCHEMBL2048338 0.80 TRPA1 (0.40) RAB9AALDH1A1L3MBTL1
SCHEMBL2049660 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL2047982 0.80 ALDH1A1 (0.56) RAB9AALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL2053034 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPTKMT2A
SCHEMBL2050136 0.79 HTR1A (0.41) POLBRAB9AALDH1A1GAAKDM4E
SCHEMBL2046457 0.76 GCK (0.43) RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2052978 0.76 HTR1A (0.33) ALDH1A1
SCHEMBL2052184 0.75 L3MBTL1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL9874268 0.75 ALDH1A1 (0.67) RAB9AALDH1A1SMN1; SMN2
SCHEMBL2047088 0.74 RXRA (0.35) RAB9AALDH1A1KDM4EHSD17B10SMN1; SMN2

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 CA12 4628/4885CA1 4294/4885CA2 1032/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CA12 4043/4885CA1 3575/4885CA2 644/4885

“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.