Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2967624 | 0.97 | MEN1 (0.52) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2971763 | 0.97 | MEN1 (0.51) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| Maleic Acid SCHEMBL2968238 | 0.93 | MEN1 (0.50) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| Fumaric Acid SCHEMBL2968241 | 0.93 | MEN1 (0.50) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| Cadaverine Tartrate SCHEMBL2971910 | 0.93 | MEN1 (0.49) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| Cadaverine Tartrate SCHEMBL2971907 | 0.93 | MEN1 (0.49) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| SCHEMBL2972212 | 0.92 | MEN1 (0.54) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 | |
| SCHEMBL3419978 | 0.91 | MEN1 (0.57) | MEN1KMT2AL3MBTL1GRM1MAPK9 | |
| SCHEMBL2962146 | 0.90 | MEN1 (0.51) | MEN1KMT2AL3MBTL1GRM1STAT3 | |
| SCHEMBL2960485 | 0.90 | MEN1 (0.52) | MEN1KMT2AL3MBTL1GRM1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763728-B2 | Tetrahydropyridothiophenes | 4SC AG (DE) | 2010-07-27 | — | — | US | disclosed |
| US-20090257977-A1 | NOVEL TETRAHYDROPYRIDOTHIOPHENES | PEKARI KLAUS | 2009-10-15 | — | — | US | disclosed |
| US-20080260749-A1 | Novel Tetrahydropyridothiophenes | NYCOMED GMBH (DE) | 2008-10-23 | — | — | US | disclosed |
| EP-1893618-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | Nycomed GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006125815-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | NYCOMED GMBH (DE) | 2006-11-30 | — | — | 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-20090257977-A1 | NOVEL TETRAHYDROPYRIDOTHIOPHENES | BAX, BCL2, CCAR2 | MEN1 4735/4885KMT2A 2418/4885L3MBTL1 2312/4885 |
| US-20080260749-A1 | Novel Tetrahydropyridothiophenes | BAX, BCL2, CCAR2 | MEN1 4691/4885KMT2A 2644/4885L3MBTL1 2416/4885 |
“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.