Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 11/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 2/20 | 0.35 |
| ▸ | HRAS | P01112 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3938614 | 0.98 | HDAC1 (0.40) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL3417244 | 0.97 | HDAC1 (0.42) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL3934001 | 0.97 | HDAC1 (0.42) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL15428461 | 0.97 | HDAC1 (0.40) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL13879863 | 0.91 | HDAC1 (0.37) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL23745120 | 0.90 | HDAC1 (0.55) | HDAC1HDAC2HDAC8ERBB2TOP1 | |
| SCHEMBL3417370 | 0.89 | HDAC1 (0.39) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL16710976 | 0.89 | HDAC1 (0.39) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL19614861 | 0.88 | ERBB2 (0.41) | HDAC1HDAC2HDAC8P2RY12ERBB2 | |
| SCHEMBL13845729 | 0.88 | HDAC1 (0.55) | HDAC1HDAC2HDAC8ERBB2TOP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637664-B2 | Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease | SPIROGEN SARL (CH) | 2014-01-28 | — | — | US | disclosed |
| EP-1931671-B1 | ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [2, 1-C][1, 4]BENZODIAZEPINE-8-YLOXY) -BUTYRYLAMINO]-1H-PYRROLE-2-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF A PROLIFERATIVE DISEASE | SPIROGEN LTD (GB) | 2009-04-08 | — | — | EP | disclosed |
| US-20080214525-A1 | Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease | SPIROGEN LIMITED (GB) | 2008-09-04 | — | — | 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-20080214525-A1 | Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease | CCNY, NR0B1, CNR1 | HDAC1 698/4885HDAC2 1316/4885HDAC8 624/4885 |
“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.