SCHEMBL3843843

SCHEMBL3843843

CC(=O)C(C)(C)NCC(Cn1ccnc1[N+](=O)[O-])ONC(C)(C)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
TYMP P19971 3/20 0.33
NOS1 P29475 1/20 0.31
CCR10 P46092 2/20 0.31

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
SCHEMBL5311355 1.00 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5310582 1.00 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5313313 0.92 KMT2A (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5316299 0.92 KMT2A (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5314246 0.90 KMT2A (0.39) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL13647157 0.90 KMT2A (0.43) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5311307 0.89 KMT2A (0.43) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8597227 0.88 KMT2A (0.42) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8597217 0.88 KMT2A (0.42) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5312576 0.88 KMT2A (0.42) KMT2ALMNATHRBCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP claimed
EP-1377557-A1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INTERNATIONAL B.V. (NL) 2004-01-07 EP claimed
WO-2002076952-A1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INTERNATIONAL B.V. (US) 2002-10-03 WO claimed
US-6384232-B1 RADIOLOGY, HYPOXIC TISSUE CYTOTOXINS, RADIOSENSITIZERS; REACT N-(2,3-EPOXYPROPYL)PHTHALIMIDE WITH 2-NITRO-IMIDAZOLE; 6-((2-NITRO-1H-IMIDAZOL-1-YL)METHYL)-5-OXA-4,8-DIAZA UNDECANE-2,10-DIONE DIOXIME COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 2002-05-07 US claimed
CN-1055685-C Heteroatom-bearing ligands and metal complexes thereof BRAKER INTERNAT B V (NL) 2000-08-23 CN claimed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP claimed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US claimed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US claimed
CN-1099388-A Heteroatom-bearing ligands and metal complexes thereof BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN claimed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP claimed
EP-1404376-B1 RADIOPHARMACEUTICAL FORMULATIONS BRACCO IMAGING SPA (IT) 2009-10-14 EP disclosed
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-1377557-B1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INT BV (NL) 2006-04-05 EP disclosed
US-6933391-B2 Methods of synthesizing heteroatom-bearing ligands and intermediate used therefor BRACCO INTERNATIONAL B.V. (NL) 2005-08-23 US disclosed
US-20050074402-A1 Radiopharmaceutical formulations BRACCO IMAGING S.P.A. (IT) 2005-04-07 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
CN-1099388-A Heteroatom-bearing ligands and metal complexes thereof BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050074402-A1 Radiopharmaceutical formulations SDHB, GPX4, SDHA KMT2A 4656/4885LMNA 2780/4885THRB 1174/4885

“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.