Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzo[D]Isoxazole. 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 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Benzo[D]Isoxazole SCHEMBL5697378 | 0.82 | NPC1 (0.40) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL5918862 | 0.81 | NPC1 (0.39) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL6298798 | 0.81 | RAB9A (0.39) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL5697384 | 0.81 | NPC1 (0.39) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL2199652 | 0.79 | CA2 (0.41) | KDM4ESMN1; SMN2LMNATSHRCA12 | |
| Naphthalene SCHEMBL29169688 | 0.79 | SMN1; SMN2 (0.64) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL5697385 | 0.78 | CYP3A4 (0.36) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL5773958 | 0.76 | TDP1 (0.34) | ALDH1A1TDP1MAPTLMNACA12 | |
| Benzofuran SCHEMBL28217004 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| Benzo[D]Isoxazole SCHEMBL1355530 | 0.75 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102584754-B | There is the fused aromatic compounds of anti-diabetic activity | SCHERING CORPORATION (US) | 2016-02-03 | — | — | CN | disclosed |
| EP-1861382-B1 | FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY | MERCK SHARP & DOHME (US) | 2012-10-10 | — | — | EP | disclosed |
| US-8258161-B2 | Crystalline salt form of an antidiabetic compound | MERCK SHARP & DOHME CORP. (US) | 2012-09-04 | — | — | US | disclosed |
| CN-102584754-A | Fused aromatic compounds having anti-diabetic activity | MERCK SHARP & DOHME | 2012-07-18 | — | — | CN | disclosed |
| US-7834036-B2 | Fused-aromatic compounds having anti-diabetic activity | MERCK SHARP & DOHME CORP (US) | 2010-11-16 | — | — | US | disclosed |
| US-20100056580-A1 | NOVEL CRYSTALLINE SALT FORM OF AN ANTIDIABETIC COMPOUND | MERCK & CO., INC. (US) | 2010-03-04 | — | — | US | disclosed |
| US-20090264473-A1 | Novel Crystalline Forms of Antidiabetic Compounds | MERCK SHARP & DOHME CORP. | 2009-10-22 | — | — | US | disclosed |
| EP-1993543-A2 | NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS | Merck & Co., Inc. (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2008109334-A1 | NOVEL CRYSTALLINE SALT FORM OF AN ANTIDIABETIC COMPOUND | MERCK & CO., INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| US-20080194586-A1 | Fused-Aromatic Compounds Having Anti-Diabetic Activity | MERCK SHARP & DOHME LLC | 2008-08-14 | — | — | US | disclosed |
| CN-101128441-A | Fused aromatic compounds having anti-diabetic activity | MERCK & CO INC (US) | 2008-02-20 | — | — | CN | disclosed |
| EP-1861382-A1 | FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY | Merck & Co., Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| WO-2007103252-A2 | NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS | MERCK & CO., INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| WO-2006096564-A1 | FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY | MERCK & CO., INC. (US) | 2006-09-14 | — | — | 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-20080194586-A1 | Fused-Aromatic Compounds Having Anti-Diabetic Activity | PPARG, PPARA, FABP4 | ALDH1A1 2353/4885KDM4E 2026/4885SMN1; SMN2 4850/4885 |
| US-20100056580-A1 | NOVEL CRYSTALLINE SALT FORM OF AN ANTIDIABETIC COMPOUND | PPARG, PPARA, PPARD | ALDH1A1 3568/4885KDM4E 3625/4885SMN1; SMN2 4510/4885 |
| US-20090264473-A1 | Novel Crystalline Forms of Antidiabetic Compounds | PPARG, FFAR2, PPARA | ALDH1A1 2916/4885KDM4E 3025/4885SMN1; SMN2 4559/4885 |
“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.