SCHEMBL647368

SCHEMBL647368

COC(=O)c1ccc([N+](=O)[O-])c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
SIRT6 Q8N6T7 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
GPR35 Q9HC97 2/20 0.43
GAA P10253 1/20 0.42
ERN1 O75460 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL28775541 0.87 TSHR (0.51) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL27883380 0.87 SIRT6 (0.48) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL9304506 0.84 ALDH1A1 (0.50) SMN1; SMN2TSHRKMT2AMEN1CRHBP
SCHEMBL17184346 0.84 SMN1; SMN2 (0.47) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL6211358 0.84 SIRT6 (0.46) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL29164229 0.83 PDGFRB (0.43) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL24100415 0.83 SMN1; SMN2 (0.45) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL15122867 0.83 SIRT6 (0.45) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL24100061 0.83 TDP1 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4995662 0.83 SMN1; SMN2 (0.46) SMN1; SMN2SIRT6PDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224460-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA 2013-07-31 CN disclosed
EP-2084136-B1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2013-03-13 EP disclosed
CN-101541755-B Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA 2012-06-27 CN disclosed
US-8119569-B2 Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-21 US disclosed
US-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-12-16 US disclosed
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-03-25 US disclosed
CN-101573035-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA (JP) 2009-11-04 CN disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed
CN-101541755-A Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA (JP) 2009-09-23 CN disclosed
EP-2084136-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-08-05 EP disclosed
WO-2008065907-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-05 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-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND HDHD5, HCAR3, CBR3 SMN1; SMN2 4824/4885SIRT6 777/4885PDGFRB 2195/4885
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM HACL2, HDHD5, CBR3 SMN1; SMN2 4433/4885SIRT6 2326/4885PDGFRB 963/4885

“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.