Known targets — ChEMBL curated mechanism
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14232144 | 0.88 | KDM4E (0.57) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL385057 | 0.87 | KDM4E (0.56) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL383102 | 0.87 | KDM4E (0.56) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| Lithium SCHEMBL385059 | 0.87 | KDM4E (0.56) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| Lithium Ion SCHEMBL21063421 | 0.84 | KDM4E (0.47) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL382555 | 0.81 | L3MBTL1 (0.53) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL12855318 | 0.79 | KDM4E (0.63) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL384353 | 0.78 | KDM4E (0.56) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL10268440 | 0.78 | KDM4E (0.58) | KDM4EKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL10269550 | 0.78 | KDM4E (0.58) | KDM4EKMT2AMEN1ALDH1A1POLB |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9914719-B2 | Hydroxybenzamide derivatives and their use as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2018-03-13 | — | — | US | disclosed |
| EP-2073804-B1 | HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN | ASTEX THERAPEUTICS LTD (GB) | 2017-09-13 | — | — | EP | disclosed |
| US-9730912-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2017-08-15 | — | — | US | disclosed |
| US-20150045362-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2015-02-12 | — | — | US | disclosed |
| US-8916552-B2 | Pharmaceutical combinations | ASTEX THERAPEUTICS LIMITED (GB) | 2014-12-23 | — | — | US | disclosed |
| US-8883790-B2 | Pharmaceutical combinations | ASTEX THERAPEUTICS LIMITED (GB) | 2014-11-11 | — | — | US | disclosed |
| EP-2332909-B1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LTD (GB) | 2014-10-15 | — | — | EP | disclosed |
| US-8816087-B2 | Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 | ASTEX THERAPEUTICS LIMITED (GB) | 2014-08-26 | — | — | US | disclosed |
| US-8779132-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2014-07-15 | — | — | US | disclosed |
| US-8530469-B2 | Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2013-09-10 | — | — | US | disclosed |
| EP-2073804-A2 | HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY | Astex Therapeutics Limited (GB) | 2009-07-01 | — | — | EP | disclosed |
| EP-2073807-A1 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-07-01 | — | — | EP | disclosed |
| CN-101193862-A | Hydroxybenzamide derivatives and their use as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD (GB) | 2008-06-04 | — | — | CN | disclosed |
| WO-2008044045-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008044054-A2 | HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| EP-1877379-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | Astex Therapeutics Limited (GB) | 2008-01-16 | — | — | EP | disclosed |
| US-20070276026-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-29 | — | — | US | disclosed |
| US-20070259886-A1 | (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma | ASTEX THERAPEUTICS, LTD. (GB) | 2007-11-08 | — | — | US | disclosed |
| US-20070259871-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-08 | — | — | US | disclosed |
| WO-2006109085-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2006-10-19 | — | — | 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 (4 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070276026-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | HSP90AB1, HSP90AB2P, HSP90AA1 | KDM4E 3451/4885KMT2A 3900/4885MEN1 4470/4885 |
| US-20070259886-A1 | (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma | HSP90AB2P, HSP90AA1, HSP90AB1 | KDM4E 3534/4885KMT2A 3703/4885MEN1 4105/4885 |
| US-20070259871-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | HSP90AB1, HSP90AB2P, HSP90AA1 | KDM4E 3464/4885KMT2A 3922/4885MEN1 4486/4885 |
| US-20150045362-A1 | Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 | HSP90AB1, HSP90AB2P, HSP90AA1 | KDM4E 3464/4885KMT2A 3922/4885MEN1 4486/4885 |
“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.