Lithium

Lithium

SCHEMBL208951

O=C(O)C(=O)Nc1ccc(Br)cn1.[Li]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
RAB9A P51151 11/20 0.55
NPC1 O15118 9/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1504119 0.98 TSHR (0.61) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL208950 0.96 TSHR (0.59) TSHRRAB9ANPC1MEN1KMT2A
Lithium Ion SCHEMBL208696 0.84 RAB9A (0.54) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL1067851 0.83 TSHR (0.65) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL1503823 0.79 RAB9A (0.57) TSHRRAB9ANPC1MEN1KMT2A
Lithium SCHEMBL3308294 0.79 RAB9A (0.79) RAB9ANPC1MEN1KMT2ARXFP1
Lithium SCHEMBL209869 0.79 L3MBTL1 (0.68) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL11728090 0.78 RAB9A (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8104147 0.78 RAB9A (0.58) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL29883001 0.78 PTK2 (0.62) TSHRRAB9ANPC1MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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 (5 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S TSHR 126/4885RAB9A 3871/4885NPC1 3135/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 TSHR 280/4885RAB9A 4576/4885NPC1 3007/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL TSHR 312/4885RAB9A 1817/4885NPC1 3353/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 TSHR 299/4885RAB9A 3368/4885NPC1 3879/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 TSHR 186/4885RAB9A 1678/4885NPC1 3934/4885

“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.