SCHEMBL2901016

SCHEMBL2901016

COC[N+]1(C)CCCC1.N#CNC#N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.31
KMT2A Q03164 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
Thiocyanic Acid SCHEMBL2895607 0.83 KDM4E (0.42) KDM4E
Cyanamide SCHEMBL2901015 0.83 KDM4E (0.42) KDM4E
SCHEMBL1598394 0.82
SCHEMBL2901792 0.81
Hydrochloric Acid SCHEMBL2497190 0.80 KDM4E (0.50) KDM4ELMNAKMT2A
SCHEMBL2099455 0.80 KDM4E (0.56) KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL907479 0.80 KDM4E (0.50) KDM4ELMNAKMT2A
SCHEMBL28908248 0.80 KDM4E (0.50) KDM4ELMNAKMT2A
Fluoride Ion SCHEMBL907407 0.80 KDM4E (0.50) KDM4ELMNAKMT2A
Water SCHEMBL1769874 0.80 KDM4E (0.50) KDM4ELMNAKMT2A

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-7854854-B2 Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2010-12-21 US disclosed
EP-1840124-B1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL CO LTD (JP) 2010-03-17 EP disclosed
US-20100038578-A1 Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device ALLY BANK, AS AGENT 2010-02-18 US disclosed
EP-1840124-A1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE Otsuka Chemical Co., Ltd. (JP) 2007-10-03 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 (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-20100038578-A1 Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device SCN1B, SCN1A, SCN11A KDM4E 1433/4885LMNA 2283/4885KMT2A 1082/4885

“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.