SCHEMBL2085253

SCHEMBL2085253

N#Cc1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.66
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
MTOR P42345 1/20 0.46
PLK1 P53350 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30372844 0.87 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22636866 0.87 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1735159 0.83 MEN1 (0.60) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8409766 0.83 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7886443 0.81 VCAM1 (0.58) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15408517 0.80 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1344002 0.80 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11028874 0.79 VCAM1 (0.51) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL645653 0.79 VCAM1 (1.00) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2085369 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738161-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-04-11 EP disclosed
EP-2738162-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-01-03 EP disclosed
EP-2548862-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2016-06-08 EP disclosed
US-9242931-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2016-01-26 US disclosed
US-8962826-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2015-02-24 US disclosed
US-8816069-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2014-08-26 US disclosed
EP-2738162-A2 Method for producing amide compound Ube Industries, Ltd. (JP) 2014-06-04 EP disclosed
EP-2738161-A1 Method for producing amide compound Ube Industries, Ltd. (JP) 2014-06-04 EP disclosed
US-20140114062-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-20140114061-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2123635-B1 METHOD FOR PRODUCTION OF LAUROLACTAM UNIV NAGOYA NAT UNIV CORP (JP) 2013-06-05 EP disclosed
EP-2548862-A1 METHOD FOR PRODUCING AMIDE COMPOUND Ube Industries, Ltd. (JP) 2013-01-23 EP disclosed
US-20130005960-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-8309714-B2 Process for producing laurolactam UBE INDUSTRIES, LTD. (JP) 2012-11-13 US disclosed
US-8163899-B2 Process for producing laurolactam NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-04-24 US disclosed
US-20100324283-A1 PROCESS FOR PRODUCING LAUROLACTAM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-12-23 US disclosed
US-20100267944-A1 PROCESS FOR PRODUCING LAUROLACTAM UBE INDUSTRIES, LTD. (JP) 2010-10-21 US disclosed
EP-2223911-A1 METHOD FOR PRODUCTION OF LAUROLACTAM Ube Industries, Ltd. (JP) 2010-09-01 EP disclosed
EP-2123635-A1 METHOD FOR PRODUCTION OF LAUROLACTAM National University Corporation Nagoya University (JP) 2009-11-25 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 (3 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-20130005960-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH5, ALKBH3 VCAM1 3954/4885GRIN2D 3009/4885GRIN3B 3590/4885
US-20140114062-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH1A, O60361 VCAM1 3441/4885GRIN2D 2436/4885GRIN3B 3062/4885
US-20140114061-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH1A, O60361 VCAM1 3441/4885GRIN2D 2436/4885GRIN3B 3062/4885

“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.