SCHEMBL1883469

SCHEMBL1883469

CC1=[N+](C)c2ccccc2C1(C)C.FC(F)(F)[B-](C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
THRB P10828 3/20 0.40
RECQL P46063 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APP P05067 2/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4604770 0.86 MAPT (0.44) MAPTMEN1KMT2ALMNAHTT
SCHEMBL136602 0.86 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL10309089 0.86 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL29450242 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL1865228 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL4604209 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Bromide SCHEMBL4604526 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL29099250 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
Iodide SCHEMBL29362949 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6853538 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8702815-B2 Cyanoborate, fluoroalkylphosphate, fluoroalkylborate or imide dyes MERCK PATENT GMBH (DE) 2014-04-22 US disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 US disclosed
US-7939644-B2 cationic dyes used for coloring plastics, fibers, leather and paper, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp inks, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry MERCK PATENT GMBH (DE) 2011-05-10 US disclosed
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes MERCK PATENT GMBH (DE) 2008-11-06 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 (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-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES ZAP70, MYLK3, KIT MAPT 3351/4885MEN1 4104/4885KMT2A 823/4885
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes ZAP70, MYLK3, KIT MAPT 3351/4885MEN1 4104/4885KMT2A 823/4885

“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.