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 | |
|---|---|---|---|---|
| ▸ | XDH known ✓ | P47989 | 2/20 | 0.52 |
| ▸ | TLR4 known ✓ | O00206 | 1/20 | 0.50 |
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 9/20 | 0.49 |
| ▸ | RAB9A | P51151 | 9/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | STAT1 | P42224 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 3/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27593874 | 0.83 | XDH (0.55) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL3611114 | 0.82 | XDH (0.53) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL10829146 | 0.81 | XDH (0.52) | XDHNPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL18114422 | 0.79 | AGPAT2 (0.50) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL11448370 | 0.78 | NPC1 (0.53) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL3611112 | 0.77 | AGPAT2 (0.49) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL2335195 | 0.76 | XDH (0.50) | XDHNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL447888 | 0.73 | XDH (0.58) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL31032654 | 0.73 | XDH (0.58) | XDHTLR4NPC1RAB9AKDM4E | |
| SCHEMBL602044 | 0.73 | HRH4 (0.52) | XDHNPC1RAB9AKDM4ESMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100010060-A1 | Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof | BAYER HEALTHCARE AG (DE) | 2010-01-14 | — | — | US | 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-20100010060-A1 | Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof | ICAM1, SERPINC1, TFPI2 | XDH 29/4885TLR4 2181/4885NOD2 700/4885 |
“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.