Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL744467 | 0.93 | CYP2A6 (0.50) | CYP2A6MAOBMAOAPTPN1PTPN2 | |
| SCHEMBL18825325 | 0.88 | CA1 (0.46) | CYP2A6MAOBMAOAPTPN1PTPN2 | |
| SCHEMBL1341822 | 0.86 | CYP2A6 (0.52) | CYP2A6PTPN1PTPN2IMPDH2IMPDH1 | |
| SCHEMBL29489123 | 0.86 | CYP2A6 (0.52) | CYP2A6PTPN1PTPN2IMPDH2IMPDH1 | |
| SCHEMBL8469783 | 0.82 | CYP2A6 (0.42) | CYP2A6MAOBMAOAPTPN1PTPN2 | |
| SCHEMBL2694188 | 0.80 | PTPN1 (0.55) | CYP2A6MAOBMAOAPTPN1PTPN2 | |
| SCHEMBL13074509 | 0.79 | CYP2A6 (0.50) | CYP2A6PTPN1PTPN2IMPDH2IMPDH1 | |
| SCHEMBL1344485 | 0.78 | CYP2A6 (0.54) | CYP2A6PTPN1PTPN2IMPDH2IMPDH1 | |
| SCHEMBL29489119 | 0.78 | CYP2A6 (0.54) | CYP2A6PTPN1PTPN2IMPDH2IMPDH1 | |
| SCHEMBL29371678 | 0.78 | CYP2A6 (0.72) | CYP2A6KDM4EMEN1ALDH1A1MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101044114-B | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD. (NZ) | 2012-02-15 | — | — | CN | disclosed |
| US-7718688-B2 | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-05-18 | — | — | US | disclosed |
| EP-1809603-A4 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LTD (NZ) | 2009-09-02 | — | — | EP | disclosed |
| US-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-05-22 | — | — | US | disclosed |
| CN-101044114-A | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD (NZ) | 2007-09-26 | — | — | CN | disclosed |
| EP-1809603-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006043839-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2006-04-27 | — | — | 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 (1 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-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | HIF1AN, HYOU1, HIF1A | CYP2A6 202/4885MAOB 315/4885MAOA 413/4885 |
“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.