Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Clomethiazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.96 |
| ▸ | MEN1 | O00255 | 2/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.96 |
| ▸ | LMNA | P02545 | 1/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.96 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.96 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PDE8B | O95263 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Clomethiazole SCHEMBL35223 | 0.98 | — | — | |
| Cloprothiazole SCHEMBL1069474 | 0.88 | ALDH1A1 (0.81) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| Clomethiazole SCHEMBL28087788 | 0.84 | ALDH1A1 (0.74) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| Clomethiazole SCHEMBL159364 | 0.83 | ALDH1A1 (0.72) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| Clomethiazole SCHEMBL28087659 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| Clomethiazole SCHEMBL7346645 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| SCHEMBL859923 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL14685862 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL11635934 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL7445751 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1KDM4ELMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344159-A1 | MEDICAMENTS AND METHODS FOR INHIBITION OF SCARRING | Renovo Limited (GB) | 2011-07-20 | — | — | EP | disclosed |
| US-20110082171-A1 | Medicaments and Methods for Inhibition of Scarring | RENOVO LIMITED (GB) | 2011-04-07 | — | — | US | disclosed |
| WO-2009147390-A1 | MEDICAMENTS AND METHODS FOR INHIBITION OF SCARRING | RENOVO LIMITED (GB) | 2009-12-10 | — | — | WO | disclosed |
| US-5648498-A | Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof | ASTRA AKTIEBOLAG (SE) | 1997-07-15 | — | — | US | disclosed |
| EP-0546306-B1 | 5-(2-Chloroalkyl)-4-methylthiazoles, their preparation and their use, and intermediates for their preparation | ASTRA AB (SE) | 1997-04-16 | — | — | EP | disclosed |
| EP-0619815-B1 | PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF | ASTRA AB (SE) | 1997-04-16 | — | — | EP | disclosed |
| US-5534644-A | Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof | AKTIEBOLAGET ASTRA (SE) | 1996-07-09 | — | — | US | disclosed |
| EP-0619815-A1 | NOVEL PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF. | ASTRA AB (SE) | 1994-10-19 | — | — | EP | disclosed |
| WO-1993009107-A1 | NOVEL PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF | AKTIEBOLAGET ASTRA (SE) | 1993-05-13 | — | — | WO | disclosed |
| US-RE34201-E | Analgesics | ANAQUEST, INC. (US) | 1993-03-23 | — | — | US | disclosed |
| US-5053411-A | Analgesics | ANAQUEST, INC. (US) | 1991-10-01 | — | — | US | disclosed |
| EP-0396282-A2 | N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds | BOC, INC. (US) | 1990-11-07 | — | — | EP | disclosed |