Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1721705 | 0.97 | MRGPRX4 (0.38) | MLYCDALDH1A1POLBEIF4A1ALOX5 | |
| SCHEMBL1722658 | 0.93 | ALDH1A1 (0.45) | ALDH1A1POLBALOX5PDE4APDE4B | |
| SCHEMBL1722041 | 0.90 | NAMPT (0.37) | ALDH1A1POLBALOX5PDE4APDE4B | |
| SCHEMBL1721493 | 0.88 | MLYCD (0.39) | MLYCDALDH1A1POLBALOX5PDE4A | |
| SCHEMBL1723330 | 0.88 | USP2 (0.42) | L3MBTL1ALDH1A1POLBALOX5MRGPRX4 | |
| SCHEMBL1722028 | 0.88 | FAAH (0.46) | MLYCDL3MBTL1POLBEIF4A1PDE4A | |
| SCHEMBL1723398 | 0.87 | NAMPT (0.42) | L3MBTL1ALDH1A1ALOX5PDE4APDE4B | |
| SCHEMBL1722610 | 0.87 | TRPV1 (0.37) | ALDH1A1ALOX5HPGD | |
| SCHEMBL1723192 | 0.86 | PTGFR (0.40) | ALOX5 | |
| SCHEMBL1721507 | 0.86 | PDE4A (0.49) | MLYCDALDH1A1PDE4APDE4BPDE4C |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399673-B2 | Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators | GRUENENTHAL GMBH (DE) | 2013-03-19 | — | — | US | claimed |
| US-20120252841-A1 | Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators | DRUNENTHAL GMBH (DE) | 2012-10-04 | — | — | US | claimed |
| EP-2406229-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-01-18 | — | — | EP | claimed |
| WO-2010102811-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2010-09-16 | — | — | WO | claimed |
| US-20100234372-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | GRUNENTHAL GMBH (DE) | 2010-09-16 | — | — | US | claimed |
| US-8399673-B2 | Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators | GRUENENTHAL GMBH (DE) | 2013-03-19 | — | — | US | disclosed |
| US-20120252841-A1 | Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators | DRUNENTHAL GMBH (DE) | 2012-10-04 | — | — | US | disclosed |
| EP-2406229-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102811-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2010-09-16 | — | — | WO | disclosed |
| US-20100234372-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | GRUNENTHAL GMBH (DE) | 2010-09-16 | — | — | 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 (2 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-20100234372-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | KCNQ1, KCNQ2, KCNJ2 | MLYCD 2561/4885L3MBTL1 4153/4885ALDH1A1 3187/4885 |
| US-20120252841-A1 | Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators | KCNQ1, KCNQ2, KCNJ2 | MLYCD 2561/4885L3MBTL1 4153/4885ALDH1A1 3187/4885 |
“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.