Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14025831 | 0.93 | NPC1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL13596758 | 0.91 | HDAC6 (0.52) | HDAC1HDAC3HDAC6HDAC4HDAC7 | |
| SCHEMBL13597945 | 0.86 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL13598059 | 0.79 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL14025830 | 0.78 | LMNA (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL10064355 | 0.78 | HDAC6 (0.48) | HDAC1HDAC3HDAC6HDAC4HDAC7 | |
| SCHEMBL689775 | 0.78 | HDAC6 (0.48) | HDAC1HDAC3HDAC6HDAC4HDAC7 | |
| SCHEMBL14025824 | 0.78 | KDM4E (0.52) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL12791258 | 0.76 | SMN1; SMN2 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL12791142 | 0.76 | SMN1; SMN2 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB |
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-7638550-B2 | new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. | Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) | 2009-12-29 | — | — | US | disclosed |
| US-20080262073-A1 | Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity | FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) | 2008-10-23 | — | — | 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-20080262073-A1 | Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity | HDAC1, HDAC11, HDAC5 | ALDH1A1 469/4885NPC1 2578/4885RAB9A 2820/4885 |
“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.