SCHEMBL3694653

SCHEMBL3694653

O=[N+]([O-])c1ccccc1C1CC1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CUL4A Q13619 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.38
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL3694806 1.00 MEN1 (0.40) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL3708687 1.00 MEN1 (0.40) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL31525035 0.74 HSD17B10 (0.47) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL3253975 0.74 HSD17B10 (0.47) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL11098511 0.72 KMT2A (0.48) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL11098513 0.72 KMT2A (0.48) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL12278880 0.72 ALDH1A1 (0.42) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL1065970 0.72 MEN1 (0.47) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL28316412 0.72 ALDH1A1 (0.47) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL7335158 0.70 HSP90AA1 (0.49) MEN1KMT2AKDM4EL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043995-B1 A METHOD FOR PRODUCING ALKENYL NITROBENZOL DERIVATIVES UNBRANCHED IN THE 1-POSITION BAYER CROPSCIENCE AG (DE) 2013-01-02 EP disclosed
EP-1858837-B1 PROCESS FOR THE PRODUCTION OF 2-(2-AMINOPHENYL)-BICYCLOPROPANE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-16 EP disclosed
US-8071824-B2 Method for producing alkenylnitrobenzene derivatives unbranched in the 1′-position BAYER CROPSCIENCE AG (DE) 2011-12-06 US disclosed
US-8071824-B2 Method for producing alkenylnitrobenzene derivatives unbranched in the 1′-position BAYER CROPSCIENCE AG (DE) 2011-12-06 US disclosed
US-20110237836-A1 Method for Producing Alkylnitrobenzenes and Alkylanilines, Unbranched in the 1'-Position, from Nitrotoluenes BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20100076229-A1 Method for Producing Alkenylnitrobenzene Derivatives Unbranched in the 1'-Position BAYER CROPSCIENCE AG (DE) 2010-03-25 US disclosed
US-7514584-B2 Process for the production of 2(2-aminophenyl)-bicylopropane derivatives SYNGENTA CROP PROTECTION, INC. (US) 2009-04-07 US disclosed
US-20080161610-A1 Process For the Production of 2(2-Aminophenyl)-Bicylopropane Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2008-07-03 US disclosed
WO-2008006576-A1 A METHOD FOR PRODUCING ALKENYL NITROBENZOL DERIVATIVES UNBRANCHED IN THE 1-POSITION BAYER CROPSCIENCE AG (DE) 2008-01-17 WO disclosed
EP-1858837-A1 PROCESS FOR THE PRODUCTION OF 2-(2-AMINOPHENYL)-BICYCLOPROPANE DERIVATIVES Syngeta Participations AG (CH) 2007-11-28 EP disclosed
WO-2006087223-A1 PROCESS FOR THE PRODUCTION OF 2- (2-AMINOPHENYL)-BICYCLOPROPANE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-08-24 WO disclosed
WO-2006087222-A1 PROCESS FOR THE PRODUCTION OF NITROBENZOLES SYNGENTA PARTICIPATIONS AG (CH) 2006-08-24 WO disclosed
WO-2006087221-A1 PROCESS FOR THE PRODUCTION OF NITROBENZOLES SYNGENTA PARTICIPATIONS AG (CH) 2006-08-24 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 (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-20110237836-A1 Method for Producing Alkylnitrobenzenes and Alkylanilines, Unbranched in the 1'-Position, from Nitrotoluenes CYP1B1, CYP1A1, CYP1A2 MEN1 2949/4885KMT2A 1543/4885KDM4E 1680/4885
US-20100076229-A1 Method for Producing Alkenylnitrobenzene Derivatives Unbranched in the 1'-Position CYP1B1, AKR7A2, CYP1A1 MEN1 2748/4885KMT2A 1165/4885KDM4E 1314/4885
US-20080161610-A1 Process For the Production of 2(2-Aminophenyl)-Bicylopropane Derivatives CYP1B1, CYP4B1, MAOB MEN1 922/4885KMT2A 3113/4885KDM4E 1767/4885

“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.