Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3565251 | 0.89 | KDM4E (0.41) | CYP17A1PLAUALDH1A1HPGDLCK | |
| SCHEMBL2400479 | 0.81 | NCEH1 (0.46) | ALDH1A1MAPTHPGDRXFP1NQO2 | |
| SCHEMBL29811032 | 0.81 | NCEH1 (0.46) | ALDH1A1MAPTHPGDRXFP1NQO2 | |
| SCHEMBL27679904 | 0.81 | MAPT (0.44) | ALDH1A1MAPTHPGDCYP2A6PRKCI | |
| SCHEMBL3565771 | 0.80 | NCEH1 (0.43) | NQO2AAK1 | |
| SCHEMBL3555734 | 0.80 | LCK (0.48) | CYP17A1PLAUALDH1A1HPGDLCK | |
| SCHEMBL3570368 | 0.80 | GPR119 (0.45) | ALDH1A1MAPTHPGDNQO2KAT6A | |
| SCHEMBL28655699 | 0.79 | NCEH1 (0.48) | LCKCA12CA1CA9RXFP1 | |
| SCHEMBL28432480 | 0.78 | CYP17A1 (0.46) | CYP17A1MAPTCA12CA1CA9 | |
| SCHEMBL28783343 | 0.77 | KCNQ4 (0.43) | CYP17A1CA12CA1CA9RXFP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718688-B2 | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-05-18 | — | — | US | 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 |
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 | CYP17A1 393/4885PLAU 3927/4885ALDH1A1 77/4885 |
“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.