SCHEMBL6131659

SCHEMBL6131659

CC(C)=CCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL7801700 0.80 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL19698979 0.78 L3MBTL1 (0.59) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL174157 0.76 ALDH1A1 (0.51) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL9810683 0.76 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1HIF1A
Hexane SCHEMBL9089973 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL14696607 0.76 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL2976254 0.75 L3MBTL1 (0.50) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL9873776 0.74 L3MBTL1 (0.49) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL27972765 0.73 L3MBTL1 (0.51) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16896797 0.73 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 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 (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 2170/4885ALDH1A1 3699/4885PKM 514/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 L3MBTL1 2170/4885ALDH1A1 3699/4885PKM 514/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 L3MBTL1 2170/4885ALDH1A1 3699/4885PKM 514/4885

“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.