SCHEMBL23857769

SCHEMBL23857769

O=[N+]([O-])c1c(I)cccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.39

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)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 2/20 0.34
▸ CA1 known ✓ P00915 1/20 0.34
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ F2 P00734 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ DUSP5 Q16690 1/20 0.34
▸ HTT P42858 2/20 0.33

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30267791 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL30267714 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL21834662 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL23857814 0.82 TDP1 (0.42) KMT2AMEN1ALDH1A1TDP1TLR8
SCHEMBL27020302 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL29221420 0.81 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL8565033 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL29290020 0.79 KMT2A (0.43) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL3029815 0.79 CA9 (0.45) KMT2AMEN1ALDH1A1TDP1F2
SCHEMBL27558457 0.79 GPR35 (0.55) KMT2AMEN1ALDH1A1TDP1F2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247013-B2 Indane derivatives for use in the treatment of bacterial infection ANTABIO SAS (FR) 2025-03-11 — — US disclosed
CN-113166084-B Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2024-06-04 — — CN disclosed
US-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 — — US disclosed
EP-4125883-A1 COMBINATION THERAPY Antabio SAS (FR) 2023-02-08 — — EP disclosed
US-20220112169-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2022-04-14 — — US disclosed
WO-2021191240-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2021-09-30 — — WO disclosed
CN-113166084-A Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2021-07-23 — — CN 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220112169-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ARG1, ELANE, INSR CA2 2278/4885CA1 4700/4885KMT2A 3582/4885
US-20240016941-A1 COMBINATION THERAPY CFTR, ABCB11, SLC26A4 CA2 467/4885CA1 4639/4885KMT2A 2615/4885
US-12247013-B2 Indane derivatives for use in the treatment of bacterial infection ELANE, ARG1, INSRR CA2 2299/4885CA1 4647/4885KMT2A 3671/4885

“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.

Send feedback