Lithium Ion

Lithium Ion

SCHEMBL306751

O=C([O-])CC(=O)Nc1ccncc1.[Li+]

nearest known ligand 0.59

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
BCHE P06276 1/20 0.59
MDM2 Q00987 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
LMNA P02545 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL10254172 0.82 BCHE (0.72) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL13824324 0.80 BCHE (0.59) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL306752 0.80 BCHE (0.70) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL9912422 0.79 BCHE (0.63) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL19026944 0.78 BCHE (0.58) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL17993537 0.78 BCHE (0.58) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL14817537 0.78 BCHE (0.58) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL2133754 0.78 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL9477024 0.78 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL8286810 0.78 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 BCHE 4787/4885MDM2 382/4885HDAC3 1397/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR BCHE 4788/4885MDM2 306/4885HDAC3 1563/4885

“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.