SCHEMBL7751464

SCHEMBL7751464

CC[N+]1=C(C)C(C)(C)c2c1ccc1cc(S(=O)(=O)[O-])ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 2/20 0.43
KDM4E B2RXH2 3/20 0.40
APEX1 P27695 1/20 0.40
PTPN1 P18031 2/20 0.32
PRMT1 Q99873 3/20 0.32
NR1I2 O75469 1/20 0.32
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FGF1 P05230 1/20 0.31

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
SCHEMBL14347674 0.88 MEN1 (0.42) LMNATDP1THRBMEN1MAPT
SCHEMBL25613295 0.84 NR1I2 (0.37) LMNATHRBKDM4EPTPN1PRMT1
Potassium Ion SCHEMBL21905087 0.83 KDM4E (0.39) LMNATDP1THRBMEN1MAPT
Potassium Ion SCHEMBL30704367 0.83 KDM4E (0.39) LMNATDP1THRBMEN1MAPT
SCHEMBL12146276 0.82 LMNA (0.59) LMNATDP1THRBMEN1MAPT
Potassium SCHEMBL31514797 0.81 MLNR (0.38) LMNATDP1THRBMEN1MAPT
SCHEMBL4292039 0.81 FOLH1 (0.34) LMNATDP1THRBMEN1MAPT
SCHEMBL17918197 0.80 LMNA (0.46) LMNATDP1THRBMEN1MAPT
SCHEMBL41357 0.79 LMNA (0.63) LMNATDP1THRBMEN1MAPT
SCHEMBL1370729 0.79 MAPT (0.43) LMNATDP1THRBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM CHAMEDITECH CO., LTD. (KR) 2018-11-15 US disclosed
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-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
WO-2013041117-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIGDE LTD. (GB) 2013-03-28 WO disclosed
EP-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed
EP-0898596-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD Amersham Pharmacia Biotech UK Limited (GB) 1999-03-03 EP disclosed
WO-1997040104-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-10-30 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-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM GRN, NPM1, NEFM LMNA 4095/4885TDP1 4721/4885THRB 4873/4885

“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.