Iodohippurate

Iodohippurate

SCHEMBL1652159

O=C([O-])CNC(=O)c1ccccc1I.[Na+]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Iodohippurate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
KEAP1 Q14145 1/20 0.38
APEX1 P27695 1/20 0.38
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37

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
Iodohippurate SCHEMBL29576793 1.00 KMT2A (0.50) KMT2AMEN1TDP1SIGMAR1TSHR
Iodohippurate SCHEMBL5915003 0.97 KMT2A (0.50) KMT2AMEN1TDP1SIGMAR1TSHR
Iodohippurate SCHEMBL589803 0.82 KMT2A (0.58) KMT2AMEN1TDP1SIGMAR1ABL1
Iodohippurate SCHEMBL29959499 0.82 KMT2A (0.58) KMT2AMEN1TDP1SIGMAR1ABL1
Iodohippurate SCHEMBL5915006 0.81 KMT2A (0.56) KMT2AMEN1TDP1SIGMAR1ABL1
Iodohippurate SCHEMBL2142713 0.81 KMT2A (0.56) KMT2AMEN1TDP1SIGMAR1ABL1
SCHEMBL8814831 0.81 KMT2A (0.51) KMT2AMEN1TDP1SIGMAR1TSHR
SCHEMBL11325406 0.81 KMT2A (0.51) KMT2AMEN1TDP1SIGMAR1TSHR
Iodohippurate SCHEMBL9860635 0.81 KMT2A (0.56) KMT2AMEN1TDP1SIGMAR1ABL1
Salicyluric Acid SCHEMBL29366327 0.81 KDM4E (0.55) KMT2AMEN1TSHRHTT

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865933-A Stilbene photochromic material containing dibenzothiophene and preparation method thereof 上海陕煤高新技术研究院有限公司 2024-04-12 CN claimed
CN-117865917-A Photochromic aggregation-state-dependent triarylethylene material and preparation method thereof 上海陕煤高新技术研究院有限公司 2024-04-12 CN claimed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 CN claimed
EP-2706881-B1 RADIATION PROTECTION DEVICE AND METHODS THEREOF STEMRAD LTD (IL) 2018-07-25 EP claimed
US-20110052503-A1 BIODEGRADABLE CONTRAST AGENTS IOPHARMA TECHNOLOGIES AB (SE) 2011-03-03 US claimed
EP-2237800-A2 BIODEGRADABLE CONTRAST AGENTS Iopharma Technologies Ab (SE) 2010-10-13 EP claimed
WO-2009081169-A2 BIODEGRADABLE CONTRAST AGENTS IOPHARMA TECHNOLOGIES AB (SE) 2009-07-02 WO claimed
EP-2035007-A1 USE OF ADENOSINE A1 ANTAGONIST IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY Solvay Pharmaceuticals GmbH (DE) 2009-03-18 EP claimed
US-20080045551-A1 PHARMACEUTICAL COMBINATION COMPRISING AN ADENOSINE A1 ANTAGONIST AND A RADIOCONTRAST MEDIA SOLVAY PHARMACEUTICALS GMBH (DE) 2008-02-21 US claimed
US-20080027082-A1 USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY SOLVAY PHARMACEUTICALS GMBH (DE) 2008-01-31 US claimed
WO-2007147809-A1 USE OF ADENOSINE A1 ANTAGONIST IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY SOLVAY PHARMACEUTICALS GMBH (DE) 2007-12-27 WO claimed
EP-1870093-A1 Pharmaceutical combination comprising adenosine A1 receptor antagonists and radiocontrast media Solvay Pharmaceuticals GmbH (DE) 2007-12-26 EP claimed
EP-4747233-A2 COMPOUNDS, COMPOSITIONS CONTAINING COMPOUNDS, AND METHODS OF MANUFACTURING RESIST MEMBRANES Merck Patent GmbH (DE) 2026-05-27 EP disclosed
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2026-05-21 US disclosed
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 US disclosed
US-20260014207-A1 METHODS AND COMPOSITIONS FOR TREATING PERINATAL HYPOXIC-ISCHEMIC BRAIN INJURY SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2026-01-15 US disclosed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP disclosed
EP-0113135-A2 Radiolabelled metallocene derivatives Mallinckrodt Diagnostica (Holland) B.V. (NL) 1984-07-11 EP disclosed
US-4307072-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1981-12-22 US disclosed
US-4268495-A A PROLAMINE AND A SOLVENT ETHICON, INC. (US) 1981-05-19 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 (5 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-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 KMT2A 1584/4885MEN1 1288/4885TDP1 3420/4885
US-20080027082-A1 USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY ADORA1, ADORA2A, ADORA3 KMT2A 1615/4885MEN1 762/4885TDP1 998/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 KMT2A 1769/4885MEN1 1342/4885TDP1 3681/4885
US-20260014207-A1 METHODS AND COMPOSITIONS FOR TREATING PERINATAL HYPOXIC-ISCHEMIC BRAIN INJURY S100B, HTRA2, HTR2B KMT2A 2502/4885MEN1 4580/4885TDP1 2251/4885
US-20110052503-A1 BIODEGRADABLE CONTRAST AGENTS CNDP2, RXFP1, RXFP3 KMT2A 2000/4885MEN1 550/4885TDP1 631/4885

“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.