Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6310236 | 0.89 | HDAC1 (0.46) | KDM4CNPC1RAB9AHDAC10HDAC1 | |
| SCHEMBL5220639 | 0.79 | HDAC10 (0.49) | HTTNPC1RAB9AHDAC10HDAC1 | |
| Hydrochloric Acid SCHEMBL6308885 | 0.78 | CCNC (0.36) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL5216771 | 0.69 | HTT (0.52) | HTTNPC1RAB9AHDAC10HDAC1 | |
| SCHEMBL9268443 | 0.68 | HDAC10 (0.66) | HDAC10HDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL10944422 | 0.68 | CYP2C9 (0.57) | HTTNPC1RAB9AHDAC10HDAC1 | |
| SCHEMBL5220924 | 0.67 | HTT (0.44) | HTTNPC1RAB9AHDAC10HDAC1 | |
| SCHEMBL2560639 | 0.67 | MAP4K4 (0.58) | MAP4K4HDAC1HDAC6KDM1A | |
| SCHEMBL21310765 | 0.66 | ACVR1B (0.46) | KDM5BMAPTCCNCCDK8 | |
| SCHEMBL30795394 | 0.66 | ACVR1B (0.46) | KDM5BMAPTCCNCCDK8 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458386-B1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | ORTHO MCNEIL PHARM INC (US) | 2007-04-18 | — | — | EP | claimed |
| US-20050130942-A1 | Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders | TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2005-06-16 | — | — | US | claimed |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2004-03-25 | — | — | US | claimed |
| EP-1458386-B1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | ORTHO MCNEIL PHARM INC (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20050148636-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-07-07 | — | — | US | disclosed |
| US-6897319-B2 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2004-03-25 | — | — | US | disclosed |
| US-20030181481-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-09-25 | — | — | 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 (4 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-20050148636-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | HTT 542/4885MAP4K4 924/4885KDM4C 3483/4885 |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | HTT 542/4885MAP4K4 924/4885KDM4C 3483/4885 |
| US-20050130942-A1 | Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders | CCNY, CCND2, CCNB1 | HTT 4051/4885MAP4K4 1985/4885KDM4C 582/4885 |
| US-20030181481-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | HTT 542/4885MAP4K4 924/4885KDM4C 3483/4885 |
“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.