Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28183509 | 1.00 | CXCR4 (0.59) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| SCHEMBL6961878 | 0.98 | CXCR4 (0.56) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| SCHEMBL234400 | 0.98 | CXCR4 (0.56) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| SCHEMBL9118234 | 0.95 | CXCR4 (0.54) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL8498878 | 0.95 | CXCR4 (0.54) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL3675303 | 0.95 | CXCR4 (0.54) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| SCHEMBL15065903 | 0.93 | CXCR4 (0.57) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| Piperazine SCHEMBL28333515 | 0.93 | KEAP1 (0.54) | CXCR4SMN1; SMN2KEAP1SIGMAR1ALOX15 | |
| SCHEMBL8516277 | 0.91 | ALOX15 (0.56) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB | |
| SCHEMBL20474789 | 0.91 | ALOX15 (0.56) | CXCR4SMN1; SMN2KEAP1SIGMAR1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1511476-B1 | NOTA-LIKE MACROCYCLIC LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME | US GOV HEALTH & HUMAN SERV (US) | 2012-11-07 | — | — | EP | disclosed |
| US-7163935-B2 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2007-01-16 | — | — | US | disclosed |
| US-7081452-B2 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2006-07-25 | — | — | US | disclosed |
| US-20050123473-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRES BY THE SECRETARY, DEPT OF HEALTH AND HUMAN SER. (US) | 2005-06-09 | — | — | US | disclosed |
| US-20030228262-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE GOVERNMENT OF THE UNITED STATES OF AMERICA | 2003-12-11 | — | — | US | disclosed |
| WO-1995019185-A1 | FUNCTIONALIZED AZA-MACROBICYCLIC LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-07-20 | — | — | 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 (2 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-20050123473-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | CXCR3, CCR5, CALCR | CXCR4 61/4885SMN1; SMN2 1181/4885KEAP1 3363/4885 |
| US-20030228262-A1 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | CXCR3, CCR5, TAC3 | CXCR4 55/4885SMN1; SMN2 1214/4885KEAP1 3294/4885 |
“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.