SCHEMBL6131598

SCHEMBL6131598

CCC(CC)(CNC(C)(C)C(C)=O)CNC(C)(C)C(=O)Cn1cnc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.34
MITF O75030 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
SCHEMBL6131612 0.87 TAAR1 (0.47) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6131633 0.76 LMNA (0.47) KMT2ALMNAMITF
SCHEMBL19698979 0.74 L3MBTL1 (0.59) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8763305 0.74 L3MBTL1 (0.39) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1797696 0.71 L3MBTL1 (0.56) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2760499 0.70 TAAR1 (0.61) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8764405 0.70 TAAR1 (0.41) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL16246028 0.69 SMN1; SMN2 (0.64) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL15544085 0.69 TAAR1 (0.60) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL174157 0.68 ALDH1A1 (0.51) L3MBTL1TAAR1SMN1; SMN2ALDH1A1MAPT

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 18 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
CN-1093084-A The rhenium and the technetium complex that comprise the anoxic localization part SQUIBB & SONS INC (US) 1994-10-05 CN claimed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 EP claimed
CN-1071928-A The rhenium and the technetium complex that comprise the anoxic localization part SQUIBB & SONS INC (US) 1993-05-12 CN 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
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP disclosed
CN-1093084-A The rhenium and the technetium complex that comprise the anoxic localization part SQUIBB & SONS INC (US) 1994-10-05 CN disclosed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 EP disclosed
CN-1071928-A The rhenium and the technetium complex that comprise the anoxic localization part SQUIBB & SONS INC (US) 1993-05-12 CN 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 L3MBTL1 2170/4885TAAR1 3038/4885SMN1; SMN2 3718/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 L3MBTL1 2170/4885TAAR1 3038/4885SMN1; SMN2 3718/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 L3MBTL1 2170/4885TAAR1 3038/4885SMN1; SMN2 3718/4885

“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.