SCHEMBL3840446

SCHEMBL3840446

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRK1 P41145 1/20 0.42
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
PCSK9 Q8NBP7 1/20 0.38
TYMP P19971 3/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL5314986 1.00 KMT2A (0.55) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5312809 0.86 KMT2A (0.44) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL3835875 0.86 KMT2A (0.44) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL31420756 0.81 CA12 (0.52) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL11348169 0.81 KMT2A (0.62) KMT2ALMNATHRBCYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11455609 0.80 KMT2A (0.60) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL19027341 0.80 LMNA (0.49) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5312527 0.79 CYP3A4 (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL3839361 0.79 CYP3A4 (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8741620 0.78 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 15 patents. 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-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP claimed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US 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
US-20050074402-A1 Radiopharmaceutical formulations BRACCO IMAGING S.P.A. (IT) 2005-04-07 US disclosed
CN-1055685-C Heteroatom-bearing ligands and metal complexes thereof BRAKER INTERNAT B V (NL) 2000-08-23 CN disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 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
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.