SCHEMBL559594

SCHEMBL559594

CC1=[N+](CCP)c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SNCA P37840 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP2C9 P11712 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
SCHEMBL12267581 0.86 MEN1 (0.43) MEN1LMNAMAPTTHRBHTT
SCHEMBL4966820 0.85 MEN1 (0.43) MEN1LMNAMAPTTHRBHTT
SCHEMBL7750107 0.85 MAPT (0.46) MEN1LMNAMAPTTHRBHTT
SCHEMBL1367336 0.85 LMNA (0.61) MEN1LMNAMAPTTHRBHTT
SCHEMBL1656985 0.84 MEN1 (0.42) MEN1LMNAMAPTTHRBHTT
Iodide SCHEMBL31142506 0.84 HTT (0.45) MEN1LMNAMAPTTHRBHTT
Water SCHEMBL6796016 0.83 LMNA (0.60) MEN1LMNAMAPTTHRBHTT
SCHEMBL10093777 0.83 LMNA (0.46) MEN1LMNAMAPTTHRBHTT
SCHEMBL23628578 0.83 TDP1 (0.41) MEN1LMNAMAPTTHRBHTT
Bromide SCHEMBL6537215 0.83 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT

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-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 US disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-20140086844-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2014-03-27 US disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-8552027-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2013-10-08 US disclosed
US-20120035346-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2012-02-09 US disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
WO-2010083471-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2010-07-22 WO disclosed
EP-2129788-A2 LUMINESCENT COMPOUNDS Seta Biomedicals, LLC (US) 2009-12-09 EP disclosed
US-7411068-B2 Luminescent compounds SETA BIOMEDICALS, LLC 2008-08-12 US disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed
US-20070281363-A1 Reporter molecules based on squaric, croconic, and/or rhodizonic acid; photoluminescence Terpetschnig, Ewald (US) 2007-12-06 US disclosed
US-7250517-B2 Luminescent compounds Terpetschnig, Ewald A. (US) 2007-07-31 US disclosed
US-20050202565-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2005-09-15 US disclosed
US-20040166515-A1 Luminescent compounds TERPETSCHNIG, EWALD A. 2004-08-26 US 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 (5 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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 MEN1 1430/4885LMNA 985/4885MAPT 4099/4885
US-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS MEN1 1189/4885LMNA 986/4885MAPT 1439/4885
US-20120035346-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS MEN1 1504/4885LMNA 1037/4885MAPT 1265/4885
US-20040166515-A1 Luminescent compounds RORC, NR2E3, RORB MEN1 3748/4885LMNA 1196/4885MAPT 4542/4885
US-20070281363-A1 Reporter molecules based on squaric, croconic, and/or rhodizonic acid; photoluminescence SPR, SRRT, SQLE MEN1 2672/4885LMNA 1873/4885MAPT 3790/4885

“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.