Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL81650 | 0.68 | NISCH (0.59) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL752833 | 0.67 | NISCH (0.39) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL297602 | 0.67 | NISCH (0.48) | NISCHMTORADKALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL1536214 | 0.66 | NISCH (0.56) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL28425230 | 0.66 | NISCH (0.56) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL11432267 | 0.65 | NISCH (0.38) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL2084172 | 0.65 | NISCH (0.42) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL7392336 | 0.65 | NISCH (0.42) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL543214 | 0.65 | NISCH (0.38) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL9026316 | 0.65 | NISCH (0.50) | NISCHMTORADKALDH1A1MEN1 |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010056189-A1 | Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors | TALLEY JOHN J (US) | 2001-12-27 | — | — | US | claimed |
| US-10160757-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | Neuroscrine Biosciences, Inc. (US) | 2018-12-25 | — | — | US | disclosed |
| US-20170183346-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | AGNO PHARMA USA | 2017-06-29 | — | — | US | disclosed |
| EP-2778166-A1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | BKG Pharma ApS (DK) | 2014-09-17 | — | — | EP | disclosed |
| EP-2421858-B1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | BKG PHARMA APS (DK) | 2014-04-30 | — | — | EP | disclosed |
| US-20140066451-A1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | BKG PHARMA APS (DK) | 2014-03-06 | — | — | US | disclosed |
| US-8604059-B2 | Thioxanthene derivatives for the treatment of infectious diseases | BKG PHARMA APS (DK) | 2013-12-10 | — | — | US | disclosed |
| EP-1744781-B1 | TREATMENT OF INFECTIOUS DISEASES | BKG PHARMA APS (DK) | 2012-07-04 | — | — | EP | disclosed |
| US-20120122880-A1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | BKG PHARMA APS (DK) | 2012-05-17 | — | — | US | disclosed |
| EP-2421858-A1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | BKG Pharma ApS (DK) | 2012-02-29 | — | — | EP | disclosed |
| EP-1341743-A2 | ORGANIC REACTIONS WITH CO GENERATING MATERIALS | Personal Chemistry i Uppsala AB (SE) | 2003-09-10 | — | — | EP | disclosed |
| US-20030100545-A1 | Benzimidazolidinone derivatives as muscarinic agents | ACADIA PHARMACEUTICALS, INC. | 2003-05-29 | — | — | US | disclosed |
| WO-2003028650-A2 | BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS | ACADIA PHARMACEUTICALS, INC. (US) | 2003-04-10 | — | — | WO | disclosed |
| US-20030032625-A1 | Succinimide and maleimide derivatives and their use as topoisomerase II catalytic inhibitors | TOPO TARGET APS (DK) | 2003-02-13 | — | — | US | disclosed |
| EP-1267885-A1 | MALE CONTRACEPTIVE FORMULATION COMPRISING NORETHISTERONE | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-01-02 | — | — | EP | disclosed |
| US-20020161266-A1 | Performing a one-pot organic reaction, which includes carbon monoxide (CO) as reactant and does not use of an external gas source, by contacting a non-catalyzing CO releasing compound such as a metal carbonyl with an energy source | BIOTAGE AB (SE) | 2002-10-31 | — | — | US | disclosed |
| WO-2002078679-A2 | SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS | TOPO TARGET APS (DK) | 2002-10-10 | — | — | WO | disclosed |
| US-20020103176-A1 | Male contraceptive formulation comprising norethisterone | SCHERING AKTIENGESELLSCHAFT | 2002-08-01 | — | — | US | disclosed |
| WO-2002048072-A2 | ORGANIC REACTIONS WITH CO GENERATING MATERIALS | PERSONAL CHEMISTRY I UPPSALA AB (SE) | 2002-06-20 | — | — | WO | disclosed |
| WO-2001060376-A1 | MALE CONTRACEPTIVE FORMULATION COMPRISING NORETHISTERONE | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-08-23 | — | — | 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 (9 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-20030032625-A1 | Succinimide and maleimide derivatives and their use as topoisomerase II catalytic inhibitors | TOP2A, TOP2B, TOP1 | NISCH 3654/4885MTOR 1603/4885ADK 3864/4885 |
| US-20020103176-A1 | Male contraceptive formulation comprising norethisterone | NR5A1, NASP, SHBG | NISCH 488/4885MTOR 1726/4885ADK 4208/4885 |
| US-20170183346-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | CYP2S1, CYP26B1, CYP4B1 | NISCH 1515/4885MTOR 4462/4885ADK 2873/4885 |
| US-20030100545-A1 | Benzimidazolidinone derivatives as muscarinic agents | CHRM4, CHRM5, CHRM1 | NISCH 2739/4885MTOR 1824/4885ADK 626/4885 |
| US-10160757-B2 | Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate) | CYP2S1, CYP26B1, CYP4B1 | NISCH 1515/4885MTOR 4462/4885ADK 2873/4885 |
| US-20140066451-A1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | TPMT, TST, MPST | NISCH 278/4885MTOR 2301/4885ADK 1610/4885 |
| US-20020161266-A1 | Performing a one-pot organic reaction, which includes carbon monoxide (CO) as reactant and does not use of an external gas source, by contacting a non-catalyzing CO releasing compound such as a metal carbonyl with an energy source | KIT, CBR1, NOS1 | NISCH 810/4885MTOR 2344/4885ADK 397/4885 |
| US-20010056189-A1 | Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors | ALOX5, ALOX15, ALOX12 | NISCH 2042/4885MTOR 2244/4885ADK 1773/4885 |
| US-20120122880-A1 | THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES | TPMT, TST, MPST | NISCH 278/4885MTOR 2301/4885ADK 1610/4885 |
“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.