SCHEMBL905517

SCHEMBL905517

Nc1cc(C(=O)NCC(O)CO)cc(C(=O)NCC(O)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 1/20 0.45
CA2 P00918 1/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 1/20 0.39
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ACSS2 Q9NR19 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
Hydrochloric Acid SCHEMBL1116045 0.98 KDM4E (0.47) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL30129826 0.94 KDM4E (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL3878826 0.94 KDM4E (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL12942362 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL9563079 0.92 NTRK2 (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL12837837 0.91 KDM4E (0.42) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL8380052 0.91 KDM4E (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL13639964 0.90 GAA (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL8074462 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL7592569 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368205-A1 CHELATE COMPOUNDS GE HEALTHCARE AS (NO) 2024-11-07 US claimed
CN-116496171-A Synthesis of iohexol 上海慧聚药业有限公司 2023-07-28 CN claimed
EP-2289870-B1 Method for purifying 5-amino-N,N'-bis(2,3-dihydroxypropyl)-isophthalamide, an intermediate in the preparation of non-ionic X-ray contrast agents GE HEALTHCARE AS (NO) 2012-11-07 EP claimed
EP-2289870-A1 Method for purifying 5-amino-N,N'-bis(2,3-dihydroxypropyl)-isophthalamide, an intermediate in the preparation of non-ionic X-ray contrast agents GE Healthcare AS (NO) 2011-03-02 EP claimed
EP-2281803-A1 Improvements in crystallization of 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6,-triiodo-isophthalamide, an intermediate for synthesizing non-ionic X-ray contrast agents GE Healthcare AS (NO) 2011-02-09 EP claimed
EP-2281804-A1 A continuous process of preparing 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, an intermediate for synthesizing non-ionic X-ray contrast agents GE Healthcare AS (NO) 2011-02-09 EP claimed
US-20110021833-A1 CRYSTALLIZATION OF AN INTERMEDIATE FOR SYNTHESIZING NON-IONIC X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-27 US claimed
US-20110021834-A1 CONTINUOUS PROCESS OF PREPARING INTERMEDIATE FOR NON-IONIC X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-27 US claimed
US-20110021814-A1 METHOD FOR REDUCING AMINOISOPHTHALIC ACID BISAMIDE RELATED IMPURITIES IN PREPARATION OF NON-IONIC X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-27 US claimed
US-7863484-B1 Eliminating the impurities of ABA monomethylester and of ABA dimer contained in an aqueous solution of 5-amino-N,N'-bis(2,3-dihydroxypropyl)-isophthalamide (ABA) or ABA hydrochloride by hydrolyzing them at a pH of 12-13 using sodium hydroxide; x-ray contrast agents, ioversol, iodixanol, iohexol GE HEALTHCARE AS (NO) 2011-01-04 US claimed
US-6441235-B1 DI-LOWER-ALKYL-5-NITROISOPHTHALATE REACTS WITH A DIHYDROXY-MONOALKYLAMINE IN THE PRESENCE OF A BASIC CATALYST AND THEN CATALYLYTICALLY HYDROGENATED, WITHOUT ISOLATING THE 5-NITRO-N,N'-BIS(R)ISOPHTHALAMIDE INTERMEDIATE AMERSHA, HEALTH AS (NO) 2002-08-27 US claimed
EP-0984922-B1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 2002-08-07 EP claimed
US-20020095053-A1 Preparation of 5-amino-isophthalamides GE HEALTHCARE AS (NO) 2002-07-18 US claimed
EP-0762900-B1 IMPROVED SYNTHESIS OF IOVERSOL USING PHOSPHORIC ACID MODIFIED CO-ADDITION MALLINCKRODT INC (US) 2001-11-21 EP claimed
US-6274762-B1 Preparation of tri-iodo benzene compounds NYCOMED IMAGING AS (NO) 2001-08-14 US claimed
US-6137006-A IODINATING 2,4,6-UNSUBSTITUTED BENZENE RING CONTAINING COMPOUND WITH IODINE HALIDE IODINATING AGENT IN AQUEOUS REACTION MEDIUM, ADDING BASE, REDUCING AGENT AND AGITATING; ADDING SEED CRYSTALS; COOLING, PRECIPITATING REACTION PRODUCT NYCOMED IMAGING AS (NO) 2000-10-24 US claimed
EP-0484328-B1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS MALLINCKRODT INC (US) 1995-06-14 EP claimed
EP-0484328-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. MALLINCKRODT INC (US) 1992-05-13 EP claimed
US-5013865-A X-ray contrast media, controlled stoichiometry and kinetics MALLINCKRODT, INC. (US) 1991-05-07 US claimed
WO-1991001296-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS MALLINCKRODT, INC. (US) 1991-02-07 WO claimed

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-20110021834-A1 CONTINUOUS PROCESS OF PREPARING INTERMEDIATE FOR NON-IONIC X-RAY CONTRAST AGENTS CNDP2, NISCH, PPIP5K2 KDM4E 3330/4885ALDH1A1 4344/4885HPGD 2205/4885
US-20240368205-A1 CHELATE COMPOUNDS SLC39A3, SLC39A11, MPI KDM4E 902/4885ALDH1A1 3140/4885HPGD 2116/4885
US-20110021814-A1 METHOD FOR REDUCING AMINOISOPHTHALIC ACID BISAMIDE RELATED IMPURITIES IN PREPARATION OF NON-IONIC X-RAY CONTRAST AGENTS PPIP5K2, AASDHPPT, ALAD KDM4E 3662/4885ALDH1A1 4176/4885HPGD 2562/4885
US-20110021833-A1 CRYSTALLIZATION OF AN INTERMEDIATE FOR SYNTHESIZING NON-IONIC X-RAY CONTRAST AGENTS IPO4, IPO5, REN KDM4E 2220/4885ALDH1A1 3844/4885HPGD 4812/4885
US-20020095053-A1 Preparation of 5-amino-isophthalamides DNPH1, DDAH1, DOHH KDM4E 3057/4885ALDH1A1 892/4885HPGD 179/4885

“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.