SCHEMBL559229

SCHEMBL559229

CC1(C)C(C=CNc2ccccc2)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MMP14 P50281 1/20 0.41
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
FOLH1 Q04609 7/20 0.35
ADORA1 P30542 1/20 0.34
NPY4R P50391 2/20 0.34
FABP1 P07148 1/20 0.33
PRMT1 Q99873 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TBXA2R P21731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 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
SCHEMBL30267298 1.00 MEN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL559228 1.00 MEN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1941795 0.94 DPP8 (0.38) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1941793 0.94 DPP8 (0.38) MEN1KMT2ALMNAHTTMMP14
Glycinebetaine SCHEMBL3926852 0.93 MEN1 (0.36) MEN1KMT2ALMNAHTTMMP14
SCHEMBL3825907 0.93 MEN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL14781528 0.93 MEN1 (0.41) MEN1KMT2ALMNAHTTMMP14
Betaine SCHEMBL3894774 0.89 MEN1 (0.38) MEN1KMT2ALMNAHTTMMP14
Glycinebetaine SCHEMBL3919160 0.88 DPP8 (0.37) MEN1KMT2ALMNAHTTMMP14
SCHEMBL12952135 0.87 FOLH1 (0.41) MEN1KMT2ALMNAHTTMMP14

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
US-9376568-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2016-06-28 US claimed
US-9738786-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2017-08-22 US disclosed
EP-2758475-B1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD (GB) 2017-04-26 EP disclosed
US-20160355683-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2016-12-08 US disclosed
US-9376568-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2016-06-28 US disclosed
US-20150274976-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2015-10-01 US disclosed
US-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 US disclosed
US-9085698-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2015-07-21 US disclosed
US-20140323741-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD. (GB) 2014-10-30 US disclosed
EP-2758475-A1 DYES FOR LABELLING MOLECULAR LIGANDS Illumina Cambridge Limited (GB) 2014-07-30 EP disclosed
US-20140086844-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2014-03-27 US disclosed
US-8552027-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2013-10-08 US disclosed
WO-2013041117-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIGDE LTD. (GB) 2013-03-28 WO disclosed
US-20120035346-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2012-02-09 US disclosed
EP-1318177-A2 Compound, in particular marker-dye, based on polymethines Dyomics GmbH (DE) 2003-06-11 EP 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-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS MEN1 1189/4885KMT2A 1544/4885LMNA 986/4885
US-20120035346-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS MEN1 1504/4885KMT2A 1434/4885LMNA 1037/4885

“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.