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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | NMT1 | P30419 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6890743 | 0.82 | NMT1 (0.35) | NMT1 | |
| SCHEMBL161233 | 0.76 | CA1 (0.41) | CES2CES1CA1CA9 | |
| SCHEMBL1584057 | 0.75 | CES2 (0.40) | CES2CES1 | |
| SCHEMBL9711255 | 0.75 | SOS1 (0.33) | — | |
| SCHEMBL10344609 | 0.72 | CES2 (0.42) | CES2CES1CA12CA1CA9 | |
| SCHEMBL3926812 | 0.70 | CES2 (0.37) | CES2CES1 | |
| SCHEMBL29590125 | 0.70 | CES2 (0.40) | CES2CES1CA12CA1CA9 | |
| Potassium Ion SCHEMBL11323343 | 0.70 | CA1 (0.37) | CES2CES1CA1CA9 | |
| SCHEMBL1583684 | 0.70 | CES2 (0.40) | CES2CES1CA12CA1CA9 | |
| SCHEMBL1584259 | 0.70 | TSHR (0.42) | NMT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023137675-A1 | USE OF NICKEL/KETONE DUAL-CATALYSIS SYSTEM IN CROSS-COUPLING REACTION OF ARYL HALIDE AND SODIUM ARYLSULFINATE | 苏州大学 | 2023-07-27 | — | — | WO | disclosed |
| CN-114478371-B | Application of nickel/ketone double-catalysis system in cross-coupling reaction of halogenated aromatic hydrocarbon and aryl sodium sulfinate | 苏州大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-111068776-B | Application of HEH in preparation of sulfone compound by catalyzing reaction of aryl halogen and aryl sulfinate | 苏州大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-114478371-A | Application of nickel/ketone double-catalysis system in cross-coupling reaction of halogenated aromatic hydrocarbon and sodium arylsulfinate | 苏州大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-111068776-A | Application of HEH in preparation of sulfone compound by catalyzing reaction of aryl halogen and aryl sulfinate | 苏州大学 | 2020-04-28 | — | — | CN | disclosed |
| US-9067949-B2 | Benzofuro[3,2-c] pyridines and related analogs as serotonin sub-type 6 (5-HT6) modulators for the treatment of obesity, metabolic syndrome, cognition and schizophrenia | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-06-30 | — | — | US | disclosed |
| EP-2668191-A2 | BENZOFURO[3,2-C]PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | Albany Molecular Research, Inc. (US) | 2013-12-04 | — | — | EP | disclosed |
| US-8575186-B2 | Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| WO-2012099952-A2 | BENZOFURO[3,2-C] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-19 | — | — | US | disclosed |
| US-20110112122-A1 | EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-05-12 | — | — | US | disclosed |
| WO-2011044134-A1 | EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-04-14 | — | — | 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 (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-20110112122-A1 | EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | HTR6, HTR3B, HTR1B | CA12 4698/4885CA1 4157/4885CES2 213/4885 |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | HTR6, HTR5A, HTR2C | CA12 4880/4885CA1 4874/4885CES2 826/4885 |
“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.