SCHEMBL5020843

SCHEMBL5020843

C[n+]1c(C=CC=C2C=CN(CCCC(=O)O)c3ccccc32)sc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 6/20 0.39
HTT P42858 5/20 0.39
MAPK1 P28482 4/20 0.39
THRB P10828 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
USP2 O75604 2/20 0.36
MTOR P42345 1/20 0.36
ADRB2 P07550 3/20 0.36
NPSR1 Q6W5P4 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 2/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX12 P18054 2/20 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
SCHEMBL13525403 0.88 KMT2A (0.40) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL10029650 0.87 MEN1 (0.36) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL12733763 0.87 RAB9A (0.41) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL26845473 0.87 RAB9A (0.41) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL13602010 0.87 RAB9A (0.41) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL10029646 0.86 MAPT (0.39) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL26845357 0.86 MEN1 (0.52) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL26266082 0.86 MEN1 (0.52) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL347455 0.85 MAPT (0.41) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL11949226 0.85 MAPT (0.41) MEN1KMT2AMAPTHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670476-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2017-06-06 US disclosed
US-20160237421-A9 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2016-08-18 US disclosed
US-20140273151-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2014-09-18 US disclosed
US-8778627-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2014-07-15 US disclosed
US-8586325-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2013-11-19 US disclosed
US-20130236888-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2013-09-12 US disclosed
US-20120115129-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2012-05-10 US disclosed
US-8092784-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2012-01-10 US disclosed
US-20090148386-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. 2009-06-11 US disclosed
WO-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 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-20130236888-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS ENGASE, GBA3, HSD17B14 MEN1 2545/4885KMT2A 3358/4885MAPT 2600/4885
US-20120115129-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS ENGASE, GBA3, HSD17B14 MEN1 2545/4885KMT2A 3358/4885MAPT 2600/4885

“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.