SCHEMBL6131588

SCHEMBL6131588

CC(C)=CCn1cc(C)nc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.40
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.33
SOS1 Q07889 1/20 0.33
LMNA P02545 2/20 0.33
AHCY P23526 1/20 0.32
POLB P06746 1/20 0.32
ICMT O60725 2/20 0.31
PDE4A P27815 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
SCHEMBL3835022 0.75 MITF (0.52) MITFALDH1A1PKMKMT2ALMNA
SCHEMBL6131654 0.74 KMT2A (0.50) MITFALDH1A1KMT2ALMNAAHCY
SCHEMBL17186456 0.73 MITF (0.40) MITFALDH1A1PKMKMT2ASOS1
SCHEMBL6131590 0.70 SMN1; SMN2 (0.44) MITFALDH1A1LMNAPOLBPDE4A
Bicarbonate SCHEMBL7458850 0.69 LMNA (0.46) MITFKMT2ALMNAAHCYPDE4A
SCHEMBL6131607 0.68 MITF (0.40) MITFPKMKMT2ALMNA
SCHEMBL6666633 0.65 MITF (0.51) MITFALDH1A1PKMKMT2ASOS1
SCHEMBL6131659 0.65 L3MBTL1 (0.47) ALDH1A1PKMKMT2APOLBPDE4A
SCHEMBL28888792 0.65 MITF (0.51) MITFALDH1A1KMT2ALMNAPOLB
SCHEMBL6131603 0.64 MITF (0.34) MITFALDH1A1

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-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 2417/4885ALDH1A1 3699/4885PKM 514/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 MITF 2417/4885ALDH1A1 3699/4885PKM 514/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 MITF 2417/4885ALDH1A1 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.