SCHEMBL950683

SCHEMBL950683

[O-][N+]1=C(c2cc(C(F)(F)F)nn2-c2ncccc2Cl)OCc2cc(Br)cc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ PDPK1 O15530 1/20 0.31

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
SCHEMBL950738 0.93 PTGS2 (0.33) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL952307 0.92 OPRL1 (0.34) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL954789 0.87 KDM4E (0.35) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL952125 0.85 PDPK1 (0.33) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL950412 0.84 OPRL1 (0.35) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL952893 0.84 KDM4E (0.33) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL951090 0.83 PDPK1 (0.34) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL950060 0.81 PTGS2 (0.36) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL952345 0.81 KDM4E (0.37) PTGS2PTGS1KDM4EL3MBTL1NR3C2
SCHEMBL950991 0.80 HSD11B1 (0.36) PTGS2PTGS1KDM4EL3MBTL1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 — — US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 — — US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 — — US disclosed
EP-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 — — EP disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 — — US disclosed
EP-1937664-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-07-02 — — EP disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 — — WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 — — WO 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-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 PTGS2 801/4885PTGS1 880/4885KDM4E 1084/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT PTGS2 903/4885PTGS1 744/4885KDM4E 2028/4885

“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.

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