SCHEMBL6131607

SCHEMBL6131607

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)Cn1cc(C)nc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.40
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 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
SCHEMBL6131614 0.81 LMNA (0.52) MITFLMNATHRBCYP2C19KMT2A
SCHEMBL6131601 0.80 SMN1; SMN2 (0.41) MITFLMNATHRBCYP2C19KMT2A
SCHEMBL8565270 0.80 MITF (0.31) MITF
SCHEMBL8478713 0.77 LMNA (0.51) MITFLMNATHRBCYP2C19KMT2A
SCHEMBL6131569 0.76 LMNA (0.55) MITFLMNATHRBCYP2C19KMT2A
SCHEMBL8473394 0.74 LMNA (0.55) MITFLMNATHRBCYP2C19KMT2A
SCHEMBL6131612 0.74 TAAR1 (0.47) LMNAKMT2APKM
SCHEMBL3835022 0.73 MITF (0.52) MITFLMNAKMT2APKM
SCHEMBL6131605 0.72 CA12 (0.46) LMNATHRBCYP2C19KMT2A
SCHEMBL8565364 0.71 LMNA (0.39) LMNATHRBCYP2C19KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US claimed
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US claimed
US-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US claimed
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US claimed
US-6958141-B2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2005-10-25 US disclosed
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2004-09-30 US disclosed
US-6699458-B2 CELL MEMBRANE PERMEABILITIES GREATER THAN THAT OF SUCROSE BRACCO INTERNATIONAL B.V. (NL) 2004-03-02 US disclosed
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US disclosed
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US disclosed
US-6359120-B1 REACTING ALKYLENE DIAMINE WITH HALOKETONE TO PROVIDE AN ALKYLENE DIAMINEDIKETONE WHICH IS CONVERTED TO ALKYLENE DIAMINEDIOXIME; OR REACTING ALKYLENE DIAMINE WITH FIRST HALOKETONE AND REACTING WITH SECOND HALOKETONE BRACCO INTERNATIONAL B.V. (NL) 2002-03-19 US disclosed
US-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US disclosed
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 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 (3 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-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 MITF 2417/4885LMNA 4114/4885THRB 618/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 MITF 2417/4885LMNA 4114/4885THRB 618/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 MITF 2417/4885LMNA 4114/4885THRB 618/4885

“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.