Lithium Ion

Lithium Ion

SCHEMBL742465

O=C([O-])c1ncc(-c2ccncc2)s1.[Li+]

nearest known ligand 0.44

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
GSK3A known ✓ P49840 1/20 0.34
GSK3B known ✓ P49841 1/20 0.34
ROCK1 Q13464 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LIMK1 P53667 1/20 0.42
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
KDR P35968 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40

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 SCHEMBL16102042 0.84 ERCC5 (0.55) HDAC4HDAC1HDAC6KDRERCC5
SCHEMBL27768698 0.84 HDAC3 (0.46) ROCK1HDAC3HDAC4HDAC1HDAC7
Lithium Ion SCHEMBL6737462 0.83 MKNK1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14496869 0.82 CSNK2A1 (0.47) ROCK1HDAC3HDAC4HDAC1HDAC7
Potassium Ion SCHEMBL4975200 0.81 ERCC5 (0.55) HDAC4HDAC1HDAC6KDRERCC5
SCHEMBL15896467 0.81 LIMK1 (0.46) ROCK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL742466 0.81 CSNK2A1 (0.46) ROCK1HDAC3HDAC4HDAC1HDAC7
Lithium Ion SCHEMBL6737355 0.80 WNT3A (0.44) HSD17B1HSD17B2
SCHEMBL15893969 0.78 LIMK1 (0.51) ROCK1HDAC3HDAC4HDAC1HDAC7
Lithium Ion SCHEMBL5542954 0.77 CES1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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 (8 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL GSK3A 1451/4885GSK3B 1331/4885ROCK1 3377/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 GSK3A 1870/4885GSK3B 2631/4885ROCK1 3593/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GSK3A 4519/4885GSK3B 4433/4885ROCK1 4721/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R GSK3A 4426/4885GSK3B 4323/4885ROCK1 4568/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GSK3A 4519/4885GSK3B 4433/4885ROCK1 4721/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 GSK3A 2644/4885GSK3B 2937/4885ROCK1 3990/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GSK3A 4485/4885GSK3B 4401/4885ROCK1 4621/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 GSK3A 3950/4885GSK3B 3936/4885ROCK1 426/4885

“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.