Lithium

Lithium

SCHEMBL1681024

O=C(O)c1ccc2ncc(Br)cc2c1.[Li]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.51
ALPL P05186 1/20 0.48
DYRK1B Q9Y463 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HKDC1 Q2TB90 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL2147076 0.98 MGAM (0.53) MGAMALPLDYRK1BTDP1POLB
SCHEMBL1681021 0.97 MGAM (0.51) MGAMALPLDYRK1BTDP1POLB
SCHEMBL9508 0.85 MGAM (0.62) MGAMALPLPOLBHCAR2KDM4E
SCHEMBL20572273 0.85 MGAM (0.49) MGAMDYRK1BTDP1POLBHCAR2
SCHEMBL10465639 0.84 MGAM (0.70) MGAMALPLTDP1KDM4ENPC1
SCHEMBL15447361 0.83 MAP4K4 (0.46) MGAMALPLNPC1RAB9AALDH1A1
SCHEMBL5509219 0.83 ALPL (0.50) MGAMALPLSMN1; SMN2
SCHEMBL26003351 0.83 MGAM (0.47) MGAMNPC1RAB9AALDH1A1MEN1
Lithium Ion SCHEMBL1681022 0.82 CA1 (0.44) MGAMALPLDYRK1BNPC1RAB9A
SCHEMBL1680401 0.80 HTT (0.60) ALPLKDM4EL3MBTL1ALDH1A1MMP2

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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MGAM 1262/4885ALPL 3413/4885DYRK1B 4382/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MGAM 4731/4885ALPL 4480/4885DYRK1B 4273/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MGAM 1269/4885ALPL 3325/4885DYRK1B 4505/4885

“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.