Lithium Ion

Lithium Ion

SCHEMBL2182517

CCNC(=O)Nc1nc2c(F)c(-c3cccc(NC(=O)CCC(=O)[O-])c3)cc(-c3ccccn3)c2s1.[Li+]

nearest known ligand 0.43

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 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ LIMK2 P53671 1/20 0.39
▸ IKBKB O14920 2/20 0.39
▸ CDK8 P49336 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 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
SCHEMBL2182513 0.92 ALDH1A1 (0.43) ABL1LIMK1LIMK2CDK8MAPT
Lithium SCHEMBL2182527 0.92 ALDH1A1 (0.43) ABL1LIMK1LIMK2CDK8MAPT
Lithium Ion SCHEMBL1844263 0.86 NPC1 (0.41) ABL1SMN1; SMN2NPC1RAB9A
Lithium Ion SCHEMBL1842705 0.85 ABL1 (0.40) ABL1SMN1; SMN2NPC1RAB9A
Lithium Ion SCHEMBL1843158 0.83 ABL1 (0.43) ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL1843136 0.83 MAPK1 (0.46) ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL1844259 0.82 MAPK1 (0.45) ABL1SMN1; SMN2NPC1RAB9A
Lithium SCHEMBL1844267 0.82 MAPK1 (0.45) ABL1SMN1; SMN2NPC1RAB9A
Lithium Ion SCHEMBL1842939 0.82 NPC1 (0.41) ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL1842971 0.82 ABL1 (0.43) ABL1SMN1; SMN2NPC1RAB9A

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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US claimed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI ABL1 1206/4885LIMK1 4391/4885LIMK2 4681/4885

“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.

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