Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287302 | 0.99 | CYP2D6 (0.45) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL14856467 | 0.90 | CYP2D6 (0.44) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL14856440 | 0.90 | CYP2D6 (0.44) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL28504964 | 0.89 | CYP2D6 (0.43) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL18075589 | 0.89 | CYP2D6 (0.43) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL18074196 | 0.88 | CYP2D6 (0.43) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL1491356 | 0.88 | CYP2D6 (0.43) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL14856384 | 0.88 | CYP2D6 (0.43) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL1287251 | 0.87 | CYP2D6 (0.42) | CYP2D6CYP19A1ALDH1A1TSHRHTT | |
| SCHEMBL18075379 | 0.86 | CYP2D6 (0.43) | CYP2D6CYP19A1ALDH1A1TSHRHTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580193-B1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | CHROMA THERAPEUTICS LTD (GB) | 2016-07-20 | — | — | EP | disclosed |
| US-20160193200-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | CHROMA THERAPEUTICS LTD. (GB) | 2016-07-07 | — | — | US | disclosed |
| US-9321718-B2 | Benzamide derivatives and their use as HSP90 inhibtors | CHROMA THERAPEUTICS LTD. (GB) | 2016-04-26 | — | — | US | disclosed |
| US-20130143926-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | CHROMA THERAPEUTICS LTD. (GB) | 2013-06-06 | — | — | US | disclosed |
| EP-2580193-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | Chroma Therapeutics Ltd. (GB) | 2013-04-17 | — | — | EP | disclosed |
| WO-2012048013-A2 | PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS | INHIBITEX, INC. (US) | 2012-04-12 | — | — | WO | disclosed |
| WO-2011154708-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | CHROMA THERAPEUTICS LTD (GB) | 2011-12-15 | — | — | 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-20160193200-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | HSP90AB1, HSP90AA1, HSP90AB2P | CYP2D6 729/4885CYP19A1 387/4885ALDH1A1 1146/4885 |
| US-20130143926-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS | HSP90AB1, HSP90AA1, HSP90AB2P | CYP2D6 729/4885CYP19A1 387/4885ALDH1A1 1146/4885 |
“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.