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 | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.60 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.50 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL304591 | 1.00 | HDAC1 (0.60) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL304768 | 0.93 | HDAC2 (0.53) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL15751179 | 0.93 | HDAC2 (0.53) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL8074582 | 0.85 | HDAC1 (0.62) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| Phenyl Propionic Acid SCHEMBL9385376 | 0.83 | HDAC1 (0.77) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| Phenyl Propionic Acid SCHEMBL5351527 | 0.83 | HDAC1 (0.70) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| Phenyl Propionic Acid SCHEMBL6672575 | 0.83 | HDAC1 (0.77) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL9860381 | 0.80 | KEAP1 (0.67) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL9860389 | 0.80 | KEAP1 (0.67) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL10193600 | 0.80 | KEAP1 (0.67) | HDAC1HDAC2HDAC8HDAC6HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115079-B2 | NDM inhibitor | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2015-08-25 | — | — | US | disclosed |
| US-20140221330-A1 | NDM INHIBITOR | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2014-08-07 | — | — | US | disclosed |
| EP-2737900-A1 | NDM INHIBITOR | Meiji Seika Pharma Co., Ltd. (JP) | 2014-06-04 | — | — | EP | 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-20140221330-A1 | NDM INHIBITOR | MGAM, NQO1, NQO2 | HDAC1 150/4885HDAC2 627/4885HDAC8 678/4885 |
“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.