Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzamide. 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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | RECQL | P46063 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL29998608 | 1.00 | CYP2D6 (0.56) | CYP2D6MAPK1TDP1RECQLTSHR | |
| Benzamide SCHEMBL3944288 | 0.98 | CYP2D6 (0.55) | CYP2D6MAPK1TDP1RECQLTSHR | |
| Benzamide SCHEMBL29958812 | 0.87 | TSHR (0.67) | CYP2D6TDP1RECQLTSHRMAPT | |
| Benzamide SCHEMBL29958827 | 0.87 | TSHR (0.67) | CYP2D6TDP1RECQLTSHRMAPT | |
| P-Toluenesulfonamide SCHEMBL7641434 | 0.86 | CA2 (0.67) | TDP1RECQLTSHRMAPTL3MBTL1 | |
| Benzoic Acid SCHEMBL9261231 | 0.86 | SMN1; SMN2 (0.57) | CYP2D6MAPK1TDP1RECQLTSHR | |
| Benzil SCHEMBL2093919 | 0.86 | CES2 (0.68) | CYP2D6MAPK1TDP1RECQLTSHR | |
| Benzamide SCHEMBL30128768 | 0.85 | TSHR (0.64) | CYP2D6TDP1RECQLTSHRMAPT | |
| Benzamide SCHEMBL29958820 | 0.85 | TSHR (0.64) | CYP2D6TDP1RECQLTSHRMAPT | |
| Benzamide SCHEMBL27614953 | 0.85 | TSHR (0.64) | CYP2D6TDP1RECQLTSHRMAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170313671-A1 | NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PHARMACYCLICS, INC. | 2017-11-02 | — | — | US | disclosed |
| CN-105263917-A | Novel salts of ABEXINOSTATE, related crystalline forms, processes for their preparation and pharmaceutical compositions containing them | SERVIER LAB | 2016-01-20 | — | — | CN | disclosed |
| US-8735415-B2 | Acid addition salts of (3,5-Bis trifluoromethyl)-N-[4-methyl-3-(4-pyridin-3yl-pyrimidin-2ylamino)-phenyl]-benzamide | NATCO PHARMA LIMITED (IN) | 2014-05-27 | — | — | US | disclosed |
| CN-103012376-A | Amide derivatives | ASTRAZENECA AB | 2013-04-03 | — | — | CN | disclosed |
| US-20120077833-A1 | ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE | NATCO PHARMA LIMITED (IN) | 2012-03-29 | — | — | US | disclosed |
| US-20110190328-A1 | ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE | NATCO PHARMA LIMITED (IN) | 2011-08-04 | — | — | US | disclosed |
| CN-1898216-A | Amide derivatives | ASTRAZENECA AB (SE) | 2007-01-17 | — | — | CN | disclosed |
| EP-1667648-A2 | COMPOSITIONS AND METHODS FOR TREATING BURNS | Kohi Corporation (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005032470-A2 | COMPOSITIONS AND METHODS FOR TREATING BURNS | KOHI CORPORATION (US) | 2005-04-14 | — | — | 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 (3 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-20110190328-A1 | ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE | SLC30A5, DNPEP, PAICS | PARP1 733/4885CYP2D6 1379/4885MAPK1 2850/4885 |
| US-20120077833-A1 | ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE | CA9, SLC30A5, SLC6A19 | PARP1 1250/4885CYP2D6 1198/4885MAPK1 1586/4885 |
| US-20170313671-A1 | NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HAX1, REN, CANX | PARP1 1861/4885CYP2D6 779/4885MAPK1 208/4885 |
“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.