Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 4/20 | 0.45 |
| ▸ | RARG | P13631 | 4/20 | 0.45 |
| ▸ | RARA | P10276 | 3/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.45 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3556153 | 0.94 | KDM4E (0.50) | KDM4EAKR1C3AKR1C2MCL1HPGD | |
| Methyl Alcohol SCHEMBL7181550 | 0.83 | KDM4E (0.69) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| SCHEMBL6916181 | 0.82 | KDM4E (0.68) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| SCHEMBL29359975 | 0.82 | KDM4E (0.68) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| SCHEMBL18758 | 0.82 | KDM4E (0.68) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| SCHEMBL29594563 | 0.82 | KDM4E (0.68) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| SCHEMBL27422 | 0.81 | TSHR (0.60) | AKR1C3AKR1C2MCL1HPGDALDH1A1 | |
| Acetic Acid SCHEMBL6050911 | 0.81 | KDM4E (0.67) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| Terephthalic Acid SCHEMBL2846917 | 0.80 | TSHR (0.67) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 | |
| SCHEMBL11658600 | 0.80 | KDM4E (0.65) | KDM4EHPGDHSD17B10ALDH1A1ENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-03-24 | — | — | US | disclosed |
| US-20180141941-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-05-24 | — | — | US | 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 |
| 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 (3 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 | KDM4E 856/4885AKR1C3 89/4885AKR1C2 52/4885 |
| US-20180141941-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | NR1H4, FXR1, SLC10A1 | KDM4E 4005/4885AKR1C3 1156/4885AKR1C2 1172/4885 |
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | NR1H4, FXR1, SLC10A1 | KDM4E 4005/4885AKR1C3 1156/4885AKR1C2 1172/4885 |
“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.