Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 7/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.34 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066395 | 0.83 | ESR1 (0.47) | ESR1ESR2CA2KDM4EMEN1 | |
| SCHEMBL4070877 | 0.79 | PGR (0.42) | PGRESR1ESR2CA2CA12 | |
| SCHEMBL4066742 | 0.79 | PDGFRB (0.40) | PGRESR2 | |
| SCHEMBL161233 | 0.77 | CA1 (0.41) | CA2MEN1ALDH1A1KMT2ACA1 | |
| SCHEMBL26548510 | 0.77 | PGR (0.55) | PGRESR1ESR2CA2CA12 | |
| SCHEMBL26548124 | 0.77 | PGR (0.55) | PGRESR1ESR2CA2CA12 | |
| SCHEMBL1583769 | 0.74 | LMNA (0.45) | CA2ALDH1A1NPSR1TDP1CA1 | |
| SCHEMBL29494700 | 0.74 | LMNA (0.45) | CA2ALDH1A1NPSR1TDP1CA1 | |
| Potassium Ion SCHEMBL11323343 | 0.72 | CA1 (0.37) | CA2MEN1ALDH1A1KMT2ACA1 | |
| SCHEMBL5633092 | 0.71 | CYP2A6 (0.45) | CA12CA9 |
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-7592456-B2 | Arylsulfonylnaphthalene derivatives as 5HT2A antagonists | MERCK SHARP & DOHME LIMITED (GB) | 2009-09-22 | — | — | US | disclosed |
| EP-1824817-B1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2009-02-04 | — | — | EP | disclosed |
| US-20070281952-A1 | Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists | MERCK SHARPE & DOHME LIMITED (GB) | 2007-12-06 | — | — | US | disclosed |
| EP-1824817-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006059149-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-08 | — | — | 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 (1 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-20070281952-A1 | Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists | HTR2A, HTR2C, HTR1A | ESR2 610/4885CA2 4619/4885CA12 4835/4885 |
“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.