SCHEMBL6865356

SCHEMBL6865356

O=C(NCC(O)CO)c1cc(C(=O)NCC(O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX5 P09917 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10620309 0.97 ALDH1A1 (0.50) GAALMNAMAPTMEN1KMT2A
SCHEMBL8374395 0.96 GAA (0.48) GAALMNAMAPTMEN1KMT2A
SCHEMBL8906782 0.94 CASR (0.48) GAALMNAMAPTMEN1KMT2A
SCHEMBL11341597 0.93 CYP3A4 (0.55) GAALMNAMAPTMEN1KMT2A
SCHEMBL28119673 0.91 GAA (0.44) GAALMNAMAPTMEN1KMT2A
SCHEMBL19032974 0.91 GAA (0.44) GAALMNAMAPTMEN1KMT2A
SCHEMBL8377047 0.91 ALOX5 (0.50) GAALMNAMAPTMEN1KMT2A
SCHEMBL28268057 0.91 GAA (0.66) GAALMNAMAPTMEN1KMT2A
SCHEMBL7594424 0.90 GAA (0.46) GAALMNAMAPTMEN1KMT2A
SCHEMBL7591779 0.89 GAA (0.43) GAALMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119424692-A Microcapsule ultrasound contrast agent and preparation method thereof 郑州大学第一附属医院 2025-02-14 CN disclosed
CN-113831256-B Intermediate of iodixanol and method for preparing iodixanol 江苏宇田医药有限公司 2024-06-11 CN disclosed
CN-113968826-B Preparation method of impurity F and impurity G of iodixanol 黑龙江迪诺医药有限公司 2024-05-31 CN disclosed
CN-116768747-A Intermediate of ioversol and method for preparing ioversol 江苏宇田医药有限公司 2023-09-19 CN disclosed
CN-113968826-A Preparation method of impurity F and impurity G of iodixanol 黑龙江迪诺医药有限公司 2022-01-25 CN disclosed
US-10011560-B2 Alternative process for the purification of an intermediate in the synthesis of non-ionic X-ray contrast agents GE HEALTHCARE AS (NO) 2018-07-03 US disclosed
US-9834504-B2 Alternative process for the purification of an intermediate in the synthesis of non-ionic X-ray contrast agents GE HEALTHCARE AS (NO) 2017-12-05 US disclosed
US-9834504-B2 Alternative process for the purification of an intermediate in the synthesis of non-ionic X-ray contrast agents GE HEALTHCARE AS (NO) 2017-12-05 US disclosed
US-20170253556-A1 ALTERNATIVE PROCESS FOR THE PURIFICATION OF AN INTERMEDIATE IN THE SYNTHESIS OF NON-IONIC X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2017-09-07 US disclosed
US-20170253556-A1 ALTERNATIVE PROCESS FOR THE PURIFICATION OF AN INTERMEDIATE IN THE SYNTHESIS OF NON-IONIC X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2017-09-07 US disclosed
US-20070203362-A1 PREPARATION OF IODIXANOL HOMESTAD OLE M 2007-08-30 US disclosed
EP-1131280-B1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES AMERSHAM HEALTH AS (NO) 2004-08-11 EP disclosed
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 disclosed
US-20020095053-A1 Preparation of 5-amino-isophthalamides GE HEALTHCARE AS (NO) 2002-07-18 US disclosed
EP-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 EP disclosed
EP-0308364-B1 Dicarboxylic acid-bis(3,5-dicarbamoyl-2-4-6-triiodanilides), process for their preparation and X-ray contrast agents containing them SCHERING AG (DE) 1993-11-10 EP disclosed
US-5073362-A DICARBOXYLIC ACID-BIS(3,5-DICARBAMOYL-2,4,6-TRIIODOANILIDES) AND X-RAY CONTRAST MEDIA CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0308364-A2 Dicarboxylic acid-bis(3,5-dicarbamoyl-2-4-6-triiodanilides), process for their preparation and X-ray contrast agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-22 EP disclosed
US-4256729-A X-RAYS CONTRAST AGENTS MALLINCKRODT, INC. (US) 1981-03-17 US disclosed
US-4250113-A 5-SUBSTITUTED N-2,4,6-TRIIODO-N,N'-BIS-(2,3-DIHYDROXYPROPYL) ISOPHTHALAMIDE NYEGAARD & CO. A/S (NO) 1981-02-10 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 (4 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-10011560-B2 Alternative process for the purification of an intermediate in the synthesis of non-ionic X-ray contrast agents NISCH, PPIP5K2, IPO4 GAA 2958/4885LMNA 2318/4885MAPT 3649/4885
US-20020095053-A1 Preparation of 5-amino-isophthalamides DNPH1, DDAH1, DOHH GAA 4260/4885LMNA 2994/4885MAPT 4168/4885
US-20070203362-A1 PREPARATION OF IODIXANOL NISCH, HDHD5, INSR GAA 4282/4885LMNA 3810/4885MAPT 2012/4885
US-20170253556-A1 ALTERNATIVE PROCESS FOR THE PURIFICATION OF AN INTERMEDIATE IN THE SYNTHESIS OF NON-IONIC X-RAY CONTRAST AGENTS NISCH, PPIP5K2, IPO4 GAA 2958/4885LMNA 2318/4885MAPT 3649/4885

“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.