Lithium Ion

Lithium Ion

SCHEMBL4782345

CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.[Li+]

nearest known ligand 0.40

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
CYP3A4 P08684 2/20 0.40
HIF1A Q16665 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.38
MTOR P42345 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAT2A P31153 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
CHEK1 O14757 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL4785947 0.87 CHEK1 (0.45) CYP3A4HIF1ACLK4KDM4EALDH1A1
SCHEMBL4782350 0.86 CHEK1 (0.44) CYP3A4HIF1ACLK4KDM4EALDH1A1
SCHEMBL4785283 0.84 KDM4E (0.43) KDM4EALDH1A1HDAC3MTORHDAC1
SCHEMBL15345101 0.76 HRH4 (0.52) KDM4EALDH1A1TSHRMAT2ADDB1
SCHEMBL4785105 0.76 CHEK1 (0.45) CYP3A4HIF1ACLK4KDM4EALDH1A1
SCHEMBL4781008 0.76 KMT2A (0.51) KDM4EALDH1A1HDAC1CYP1A2CYP2D6
Lithium Ion SCHEMBL4783900 0.76 MAPK1 (0.45) CYP3A4HIF1ACLK4
SCHEMBL15333992 0.75 HRH4 (0.53) KDM4EALDH1A1MAT2ADDB1CRBN
SCHEMBL18561356 0.73 KDM4E (0.43) KDM4EALDH1A1TSHRNPC1LMNA
Lithium Ion SCHEMBL4783790 0.73 CDC7 (0.44) CYP3A4HIF1ACLK4

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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R CYP3A4 1431/4885HIF1A 1932/4885CLK4 4105/4885

“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.