SCHEMBL13170477

SCHEMBL13170477

C=Nc1ccccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
MGLL Q99685 1/20 0.38
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL18597323 0.82 CYP3A4 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL49570 0.80 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21102318 0.80 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15274890 0.80 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL722841 0.79 GABRA1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24389142 0.79 CYP3A4 (0.56) CYP2D6CYP3A4CYP2C9
SCHEMBL944030 0.78 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7053823 0.78 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21148333 0.77 SIGMAR1 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23074239 0.77 SIGMAR1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1246296-C Process for preparing 2-ethyl-N-(ethoxy methyl)-alpha-chloroacetanilide WANG ZHENGQUAN (CN) 2006-03-22 CN claimed
CN-1532183-A Process for preparing 2-ethyl-N-(ethoxy methyl)-alpha-chloroacetanilide 王正权 2004-09-29 CN claimed
CN-1401630-A Preparation method of 2-ethyl-N- (ethoxymethyl) -a-chloroacetanilide WANG ZHENGQUAN (CN) 2003-03-12 CN claimed
US-9981915-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US disclosed
US-9682080-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC (US) 2017-06-20 US disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 US disclosed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 EP disclosed
US-20160069649-A1 BALLISTIC RESISTANT ARTICLE, SEMI-FINISHED PRODUCT FOR AND METHOD OF MAKING A SHELL FOR A BALLISTIC RESISTANT ARTICLE TEIJIN ARAMID B.V. (NL) 2016-03-10 US disclosed
EP-2558461-B1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2015-12-02 EP disclosed
US-8993087-B2 Ballistic-resistant articles TEIJIN ARAMID B.V. (NL) 2015-03-31 US disclosed
US-20120255430-A1 BALLISTIC-RESISTANT ARTICLES TEIJIN ARAMID B.V. (NL) 2012-10-11 US disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
CN-1246296-C Process for preparing 2-ethyl-N-(ethoxy methyl)-alpha-chloroacetanilide WANG ZHENGQUAN (CN) 2006-03-22 CN disclosed
CN-1532183-A Process for preparing 2-ethyl-N-(ethoxy methyl)-alpha-chloroacetanilide 王正权 2004-09-29 CN disclosed
CN-1401630-A Preparation method of 2-ethyl-N- (ethoxymethyl) -a-chloroacetanilide WANG ZHENGQUAN (CN) 2003-03-12 CN 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-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 SIGMAR1 3980/4885GRIN2D 4878/4885GRIN3B 3844/4885
US-20080280877-A1 Azetidines PTGER2, PTGER1, PTGDR2 SIGMAR1 629/4885GRIN2D 1374/4885GRIN3B 2061/4885

“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.