SCHEMBL6114657

SCHEMBL6114657

Cc1n(C)cc[n+]1C[n+]1ccn(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
EEF2K O00418 2/20 0.31
EEF2 P13639 2/20 0.31
MEN1 O00255 1/20 0.31
PLK4 O00444 1/20 0.31
JAK2 O60674 1/20 0.31
EGFR P00533 1/20 0.31
TYK2 P29597 1/20 0.31
FLT3 P36888 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
ITK Q08881 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL294563 0.83
SCHEMBL2401069 0.82 CA1 (0.37) HDAC8CA1CA2EEF2KEEF2
Fluoride Ion SCHEMBL1900591 0.81 CTDSP1 (0.35) HDAC8CA1CA2EEF2KEEF2
SCHEMBL14951078 0.81 CA1 (0.50) HDAC8CA1CA2EEF2KEEF2
Bromide SCHEMBL710393 0.81 CA1 (0.39) HDAC8CA1CA2EEF2KEEF2
Hydrochloric Acid SCHEMBL385497 0.81 CTDSP1 (0.35) HDAC8CA1CA2EEF2KEEF2
SCHEMBL11999063 0.81 CA1 (0.46) HDAC8CA1CA2EEF2KEEF2
Iodide SCHEMBL2037552 0.81 CTDSP1 (0.39) HDAC8CA1CA2EEF2KEEF2
SCHEMBL251673 0.81 KDM4E (0.38) HDAC8CA1CA2
Fluoride Ion SCHEMBL21980196 0.79 CA1 (0.41) HDAC8CA1CA2EEF2KEEF2

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
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT HDAC8 4415/4885CA1 163/4885CA2 83/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 HDAC8 4800/4885CA1 2316/4885CA2 666/4885

“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.