SCHEMBL1719128

SCHEMBL1719128

CCCC[n+]1ccccn1.F[B-](F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP2 P42575 1/20 0.37
RAD52 P43351 3/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
CHRM2 P08172 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
CHRM1 P11229 2/20 0.34
ACHE P22303 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL2098544 0.92 KMT2A (0.42) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL1718036 0.89 MEN1 (0.31) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL3305179 0.86 KMT2A (0.50) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL3308619 0.85 KMT2A (0.53) KMT2ASMN1; SMN2MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL28910927 0.83 KMT2A (0.52) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL15212448 0.83 RAD52 (0.40) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL1717851 0.80
SCHEMBL2098489 0.80
SCHEMBL15212450 0.78 RAD52 (0.35) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL24047348 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172463-B1 Quaternary ammonium salt, electrolytic solution and electrochemical device OTSUKA CHEMICAL CO LTD (JP) 2015-06-17 EP disclosed
US-8747690-B2 Quaternary ammonium salt and composition, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-8366956-B2 Quaternary ammonium salt and composition, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20130004860-A1 QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE STELLA CHEMIFA CORPORATION (JP) 2013-01-03 US disclosed
US-20120207525-A1 RESISTANCE HEATING COMPOSITION AND HEATING COMPOSITE, HEATING APPARATUS, AND FUSING APPARATUS, INCLUDING RESISTANCE HEATING COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-08-16 US disclosed
EP-1642894-B1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL CO LTD (JP) 2012-01-18 EP disclosed
US-20110123873-A1 Quaternary ammonium salt and composition, and electrochemical device STELLA CHEMIFA CORPORATION (JP) 2011-05-26 US disclosed
US-7834197-B2 Quaternary ammonium salt, electrolyte, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-2172463-A1 Quaternary ammonium salt, electrolytic solution and electrochemical device Otsuka Chemical Co., Ltd. (JP) 2010-04-07 EP disclosed
US-20070042271-A1 Quaternary ammonium salt, electrolyte, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1642894-A1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2006-04-05 EP 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 (3 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-20110123873-A1 Quaternary ammonium salt and composition, and electrochemical device DNMT3A, AFF4, AFF2 KMT2A 200/4885SMN1; SMN2 2346/4885MEN1 1565/4885
US-20070042271-A1 Quaternary ammonium salt, electrolyte, and electrochemical device DNMT3A, NHERF1, SLC9A1 KMT2A 268/4885SMN1; SMN2 2900/4885MEN1 1023/4885
US-20130004860-A1 QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE DNMT3A, AFF4, AFF2 KMT2A 200/4885SMN1; SMN2 2346/4885MEN1 1565/4885

“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.