SCHEMBL1611699

SCHEMBL1611699

[C-]#[N+]c1cnn(-c2cccc(S(=O)(=O)O)c2)c1N=Nc1c(C)nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4cccc(S(=O)(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
MAPK1 P28482 4/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.35
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
NPC1 O15118 3/20 0.33
MEN1 O00255 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTGS1 P23219 4/20 0.31
PTGS2 P35354 4/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL10194391 1.00 MAPT (0.37) MAPTMAPK1GAAKMT2AGLA
SCHEMBL1612986 0.95 MAPT (0.35) MAPTMAPK1GAAKMT2AGLA
SCHEMBL12552924 0.93 MAPT (0.41) MAPTMAPK1GAAKMT2AGLA
SCHEMBL12591249 0.92 KMT2A (0.33) MAPTKMT2APTGS1PTGS2
SCHEMBL12591269 0.90 PTGS1 (0.33) MAPTKMT2APTGS1PTGS2
SCHEMBL1613303 0.88 SMN1; SMN2 (0.41) MAPTMAPK1GAAKMT2AGLA
SCHEMBL12552920 0.88 MAPT (0.39) MAPTMAPK1GAAKMT2AGLA
SCHEMBL1613194 0.88 KMT2A (0.35) MAPTMAPK1GAAKMT2AGLA
SCHEMBL58834 0.85 PTGS2 (0.34) MAPTMAPK1GAAKMT2AGLA
SCHEMBL10139515 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122565-A1 INK COMPOSITION SEIKO EPSON CORPORATION (JP) 2016-05-05 US disclosed
US-9206326-B2 Ink composition, inkjet recording ink, and inkjet recording method FUJIFILM CORPORATION (JP) 2015-12-08 US disclosed
US-20150062265-A1 INK COMPOSITION, INKJET RECORDING INK, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2015-03-05 US disclosed
US-8808440-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed
US-8523991-B2 Ink composition, ink composition for inkjet recording, ink set, ink cartridge, inkjet recording method, and recorded product FUJIFILM CORPORATION (JP) 2013-09-03 US disclosed
US-8523990-B2 Ink composition, inkjet recording ink composition, ink set, ink cartridge, inkjet recording method and recorded matter FUJIFILM CORPORATION (JP) 2013-09-03 US disclosed
US-8399664-B2 Coloring matter, ink, ink for ink jet, ink jet recording method, color toner, and color filter FUJIFILM CORPORATION (JP) 2013-03-19 US disclosed
US-8262789-B2 Coloring matter, ink, ink for ink jet, ink jet recording method, color toner, and color filter FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-20120095194-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed
US-20120088910-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-04-12 US disclosed
US-20110104458-A1 INK COMPOSITION, INKJET RECORDING INK COMPOSITION, INK SET, INK CARTRIDGE, INKJET RECORDING METHOD AND RECORDED MATTER FUJIFILM CORPORATION (JP) 2011-05-05 US disclosed
US-20110091696-A1 INK COMPOSITION, INK COMPOSITION FOR INKJET RECORDING, INK SET, INK CARTRIDGE, INKJET RECORDING METHOD, AND RECORDED PRODUCT FUJIFILM CORPORATION (JP) 2011-04-21 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 (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-20120088910-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER H1-5, IK, H1-2 MAPT 1984/4885MAPK1 1016/4885GAA 1896/4885

“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.