SCHEMBL1315073

SCHEMBL1315073

CN(C)c1ccc(N=C2C=CC(=O)c3ncccc32)cc1.CN(C)c1ccc(N=C2C=CC(=O)c3ncccc32)cc1.[Ni]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 4/20 0.49
CDC25B P30305 1/20 0.49
PABPC1 P11940 1/20 0.47
LRRK2 Q5S007 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 5/20 0.38
APP P05067 3/20 0.38
SNCA P37840 3/20 0.38
TDP1 Q9NUW8 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NSD2 O96028 2/20 0.35
TDP2 O95551 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35

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
SCHEMBL1315071 1.00 S100A4 (0.49) S100A4CDC25BPABPC1LRRK2MAOA
SCHEMBL14436926 0.99 S100A4 (0.50) S100A4CDC25BPABPC1LRRK2MAOA
SCHEMBL1314052 0.97 S100A4 (0.49) S100A4CDC25BPABPC1LRRK2MAOA
SCHEMBL1314054 0.97 S100A4 (0.49) S100A4CDC25BPABPC1LRRK2MAOA
SCHEMBL1315671 0.97 S100A4 (0.49) S100A4CDC25BPABPC1LRRK2MAOA
SCHEMBL1315670 0.97 S100A4 (0.49) S100A4CDC25BPABPC1LRRK2MAOA
SCHEMBL14447700 0.81 S100A4 (0.54) S100A4CDC25BMAPTTDP1ALDH1A1
SCHEMBL29462445 0.79 PABPC1 (0.55) CDC25BPABPC1LRRK2MAOAMAOB
SCHEMBL1898632 0.79 PABPC1 (0.55) CDC25BPABPC1LRRK2MAOAMAOB
SCHEMBL574049 0.79 PABPC1 (0.55) CDC25BPABPC1LRRK2MAOAMAOB

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof CLARIANT PLASTICS & COATINGS LTD (CH) 2017-09-21 US disclosed
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US disclosed
US-9181487-B2 Process for preparing ethylenedialkylphosphinic acids, esters and salts by means of acetylene and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-11-10 US disclosed
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US disclosed
US-9085734-B2 Process for preparing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts by means of alkylene oxides and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-07-21 US disclosed
US-9068119-B2 Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carobxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-06-30 US disclosed
US-9035088-B2 Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-19 US disclosed
US-9018413-B2 Method for the production of alkylphosphonic acids, esters, and salts by oxidizing alkylphosphonous acids, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-04-28 US disclosed
US-8987490-B2 Method for the production of monohydroxy-functionalized dialkylphosphinic acids, esters, and salts using ethylene oxide, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-24 US disclosed
US-8987489-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ether and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-24 US disclosed
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US disclosed
US-20100303119-A1 Microfluidic Lasers PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 US disclosed
US-20100190901-A1 Alkylphosphonous Acids, Salts and Esters, Methods for the Production Thereof, and Use of the Same CLARIANT FINANCE (BVI) LIMITED (VG) 2010-07-29 US disclosed
US-20100181284-A1 METHOD OF OBTAINING ELECTRONIC CIRCUITRY FEATURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed
US-20100009173-A1 COMPOSITIONS AND METHODS FOR CREATING ELECTRONIC CIRCUITRY E. I. DU PONTE DE NEMOURS AND COMPANY (US) 2010-01-14 US disclosed
US-20090017309-A1 COMPOSITIONS AND METHODS FOR CREATING ELECTRONIC CIRCUITRY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-15 US disclosed
EP-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 EP disclosed
WO-2006086551-A2 MICROFLUIDIC LASERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-08-17 WO disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 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 (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-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof ENPP1, ENPP3, FADS2 S100A4 2006/4885CDC25B 1141/4885PABPC1 1374/4885
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof AOC3, SCO2, AOC2 S100A4 4517/4885CDC25B 1477/4885PABPC1 4657/4885

“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.