Lithium Ion

Lithium Ion

SCHEMBL145530

Nc1ccc(CN2CCOCC2)cc1C(=O)[O-].[Li+]

nearest known ligand 0.49

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 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NCF1 P14598 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
AOC3 Q16853 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NOS1 P29475 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL145235 0.86 PARP1 (0.49) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13634176 0.85 NOS1 (0.50) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL347360 0.85 PARP1 (0.48) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL145531 0.85 ALDH1A1 (0.54) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13163094 0.82 ALDH1A1 (0.50) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2774659 0.82 ALDH1A1 (0.59) ALDH1A1LMNAMAPTSMN1; SMN2AOC3
Hydrochloric Acid SCHEMBL2769406 0.81 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSMN1; SMN2AOC3
SCHEMBL146852 0.80 TSHR (0.55) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL3590235 0.78 PARP1 (0.49) ALDH1A1NCF1HRH3AOC3HPGD
SCHEMBL13634407 0.78 KMT2A (0.52) ALDH1A1LMNAMAPTSMN1; SMN2AOC3

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-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO 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 (4 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KCNJ1 435/4885ALDH1A1 1042/4885LMNA 3416/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KCNJ1 435/4885ALDH1A1 1042/4885LMNA 3416/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KCNJ1 435/4885ALDH1A1 1042/4885LMNA 3416/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KCNJ1 435/4885ALDH1A1 1042/4885LMNA 3416/4885

“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.