SCHEMBL952125

SCHEMBL952125

[O-][N+]1=C(c2cc(C(F)(F)F)nn2-c2ncccc2Cl)OCc2cc3ccccc3c(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 6/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ OPRL1 P41146 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL951090 0.92 PDPK1 (0.34) PDPK1NR3C2PTGS1PTGS2KDM4E
SCHEMBL954792 0.89 DHODH (0.36) DHODH
SCHEMBL950738 0.85 PTGS2 (0.33) PDPK1NR3C2PTGS1PTGS2KDM4E
SCHEMBL950683 0.85 PTGS2 (0.33) PDPK1NR3C2PTGS1PTGS2KDM4E
SCHEMBL954789 0.84 KDM4E (0.35) PDPK1NR3C2PTGS1PTGS2KDM4E
SCHEMBL952307 0.84 OPRL1 (0.34) PDPK1NR3C2PTGS1PTGS2KDM4E
SCHEMBL952893 0.82 KDM4E (0.33) NR3C2PTGS1PTGS2KDM4EL3MBTL1
SCHEMBL950412 0.82 OPRL1 (0.35) NR3C2PTGS1PTGS2KDM4EL3MBTL1
SCHEMBL950060 0.79 PTGS2 (0.36) PDPK1NR3C2PTGS1PTGS2KDM4E
SCHEMBL952345 0.79 KDM4E (0.37) PDPK1NR3C2PTGS1PTGS2KDM4E

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 4 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
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 — — US 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 PDPK1 1335/4885NR3C2 3510/4885PTGS1 880/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT PDPK1 917/4885NR3C2 3760/4885PTGS1 744/4885

“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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