SCHEMBL2371999

SCHEMBL2371999

CCN(CC)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
PTBP1 P26599 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7317326 0.86 BCHE (0.58) BCHEACHEALDH1A1MEN1KMT2A
SCHEMBL13797874 0.83 ACHE (0.46) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL8180977 0.83 BCHE (0.46) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL4369195 0.83 BCHE (0.67) BCHEACHEALDH1A1TSHR
SCHEMBL30524090 0.81 ALDH1A1 (0.62) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL250143 0.81 ALDH1A1 (0.62) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL13172467 0.81 BCHE (0.62) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL124981 0.81 ALDH1A1 (0.67) ACHEALDH1A1TSHRHPGDMEN1
SCHEMBL29437308 0.81 ALDH1A1 (0.67) ACHEALDH1A1TSHRHPGDMEN1
SCHEMBL4274039 0.80 ALDH1A1 (0.50) BCHEACHEALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 BCHE 3125/4885ACHE 3143/4885ALDH1A1 220/4885

“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.