SCHEMBL643873

SCHEMBL643873

COCCOc1c([N+](=O)[O-])ccc(C(=O)OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 9/20 0.43
MAPT P10636 4/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.40
PTGER4 P35408 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL4995662 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1
SCHEMBL27448441 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1
SCHEMBL28775541 0.78 TSHR (0.51) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1
SCHEMBL16035002 0.78 HDAC3 (0.38) SMN1; SMN2ALDH1A1MAPTKDRKMT2A
SCHEMBL9191452 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL27122616 0.77 MAPT (0.45) SMN1; SMN2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL268658 0.77 TDP1 (0.55) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1
SCHEMBL13280639 0.77 PDGFRB (0.46) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1
SCHEMBL17184346 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1
SCHEMBL647368 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTPDGFRBFGFR1

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 4824/4885ALDH1A1 1571/4885MAPT 4498/4885
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM HACL2, HDHD5, CBR3 SMN1; SMN2 4433/4885ALDH1A1 708/4885MAPT 4680/4885

“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.