Lithium Ion

Lithium Ion

SCHEMBL1764894

CCOC(=O)C(=O)/C=C(/[O-])c1cccc(Cl)c1.[Li+]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
XPO1 O14980 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
KYAT1 Q16773 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39

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
Lithium Ion SCHEMBL1764896 1.00 MAPT (0.46) MAPTGAAELANESMN1; SMN2TRPV1
Lithium Ion SCHEMBL1765466 0.84 LMNA (0.48) MAPTELANESMN1; SMN2KMT2ALMNA
Lithium Ion SCHEMBL1765467 0.84 LMNA (0.48) MAPTELANESMN1; SMN2KMT2ALMNA
SCHEMBL12596938 0.84 MAPT (0.48) MAPTGAAELANESMN1; SMN2TRPV1
Lithium Ion SCHEMBL17163917 0.83 SMN1; SMN2 (0.46) MAPTGAASMN1; SMN2KMT2ALMNA
Lithium Ion SCHEMBL1765506 0.83 CES2 (0.48) MAPTGAAELANESMN1; SMN2KMT2A
Lithium Ion SCHEMBL1765508 0.83 CES2 (0.48) MAPTGAAELANESMN1; SMN2KMT2A
SCHEMBL1764897 0.83 MAPT (0.47) MAPTGAAELANESMN1; SMN2TRPV1
Lithium Ion SCHEMBL1765032 0.82 EGFR (0.38) MAPTGAASMN1; SMN2KMT2ALMNA
Lithium Ion SCHEMBL1765035 0.82 EGFR (0.38) MAPTGAASMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO MAPT 2876/4885GAA 191/4885ELANE 141/4885

“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.