SCHEMBL6131547

SCHEMBL6131547

Cc1cnc([N+](=O)[O-])n1CC(N=O)C(C)(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
CHRM1 P11229 1/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7454092 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNACHRM1MAPK1ATM
SCHEMBL7454103 0.82 SMN1; SMN2 (0.32) SMN1; SMN2LMNA
SCHEMBL5316121 0.75 KMT2A (0.50) LMNATHRBTSHR
SCHEMBL18633377 0.73 CHRM1 (0.63) SMN1; SMN2LMNACHRM1MAPK1ATM
SCHEMBL11777752 0.71 SMN1; SMN2 (0.46) SMN1; SMN2LMNACHRM1MAPK1ATM
SCHEMBL6131585 0.70 L3MBTL1 (0.41) SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL15177274 0.69 LMNA (0.46) SMN1; SMN2LMNACHRM1MAPK1ATM
SCHEMBL12391228 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPK1ATMALDH1A1
SCHEMBL5311343 0.68 CA12 (0.44) LMNATHRB
SCHEMBL24270457 0.67 LMNA (0.58) SMN1; SMN2LMNACHRM1MAPK1ATM

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 8 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-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 (2 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-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 SMN1; SMN2 3718/4885LMNA 4114/4885CHRM1 3859/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 SMN1; SMN2 3718/4885LMNA 4114/4885CHRM1 3859/4885

“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.