SCHEMBL2372693

SCHEMBL2372693

O=[N+]([O-])c1ccccc1CN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.70
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.65
CASP1 P29466 1/20 0.64
CASP4 P49662 1/20 0.64
CASP5 P51878 1/20 0.64
CACNB4 O00305 1/20 0.60
CACNA1A O00555 1/20 0.60
CACNA1G O43497 1/20 0.60
CACNG3 O60359 1/20 0.60
CACNA1F O60840 1/20 0.60
CACNA1H O95180 1/20 0.60
CACNB3 P54284 1/20 0.60
CACNA2D1 P54289 1/20 0.60
CACNG7 P62955 1/20 0.60
CACNA1B Q00975 1/20 0.60
CACNA1D Q01668 1/20 0.60

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
SCHEMBL14351628 0.98 ACHE (0.68) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL12511057 0.93 ACHE (0.74) ACHEALDH1A1KDM4EMEN1KMT2A
Pyrrolidine SCHEMBL21177464 0.91 ACHE (0.60) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL27397886 0.87 ACHE (0.67) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL9008678 0.85 ACHE (0.65) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL4586698 0.85 ACHE (0.69) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL9621558 0.85 ACHE (0.65) ACHEALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL2925348 0.84 ACHE (0.63) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL249152 0.84 MEN1 (0.52) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL8550826 0.83 ACHE (0.74) ACHEALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655668-B Improved process for the preparation of pyraclostrobin GSP作物科学有限公司 2024-02-13 CN disclosed
US-11242320-B2 Process for the preparation of Pyraclostrobin GSP CROP SCIENCE PVT. LTD. (IN) 2022-02-08 US disclosed
CN-103784458-B Phenylalamine derivatives AJINOMOTO K. K. (JP) 2015-10-14 CN disclosed
EP-2547653-B1 N-CARBOMETHOXY-N-METHOXY-(2-CHLOROMETHYL)-ANILINES, THEIR PREPARATION AND THEIR USE AS PRECURSORS FOR PREPARING 2-(PYRAZOL-3'-YLOXYMETHYLENE)-ANILIDES BASF SE (DE) 2015-01-28 EP disclosed
CN-102858735-B N-carbomethoxy-n-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3'-yloxymethylene)-anilides BASF SE 2014-12-10 CN disclosed
CN-103784458-A Novel phenylalanine derivatives AJINOMOTO KK 2014-05-14 CN disclosed
US-8642780-B2 N-carbomethoxy-N-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3′-yloxymethylene)-anilides BASF SE (DE) 2014-02-04 US disclosed
EP-2547653-A1 N-CARBOMETHOXY-N-METHOXY-(2-CHLOROMETHYL)-ANILINES, THEIR PREPARATION AND THEIR USE AS PRECURSORS FOR PREPARING 2-(PYRAZOL-3'-YLOXYMETHYLENE)-ANILIDES BASF SE (DE) 2013-01-23 EP disclosed
US-20130005986-A1 N-Carbomethoxy-N-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3'-yloxymethylene)-anilides BASF SE (DE) 2013-01-03 US disclosed
CN-102858735-A N-carbomethoxy-n-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3'-yloxymethylene)-anilides BASF SE 2013-01-02 CN disclosed
WO-2011113884-A1 N-CARBOMETHOXY-N-METHOXY-(2-CHLOROMETHYL)-ANILINES, THEIR PREPARATION AND THEIR USE AS PRECURSORS FOR PREPARING 2-(PYRAZOL-3'-YLOXYMETHYLENE)-ANILIDES BASF SE (DE) 2011-09-22 WO disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (4 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 ACHE 4051/4885ALDH1A1 1014/4885KDM4E 200/4885
US-11242320-B2 Process for the preparation of Pyraclostrobin HPD, HPN, PPP3CB ACHE 146/4885ALDH1A1 2439/4885KDM4E 151/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 ACHE 3895/4885ALDH1A1 739/4885KDM4E 195/4885
US-20130005986-A1 N-Carbomethoxy-N-methoxy-(2-chloromethyl)-anilines, their preparation and their use as precursors for preparing 2-(pyrazol-3'-yloxymethylene)-anilides CBR3, CBR1, C1S ACHE 3143/4885ALDH1A1 220/4885KDM4E 1059/4885

“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.