SCHEMBL6131590

SCHEMBL6131590

CC(C)=CCn1c(C)cnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.35
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
MITF O75030 1/20 0.33
GLA P06280 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 3/20 0.31
ERBB2 P04626 3/20 0.31
KDM4E B2RXH2 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
SCHEMBL6537366 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1MAPK1THRB
SCHEMBL11777752 0.77 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1MAPK1THRB
SCHEMBL24270457 0.76 LMNA (0.58) SMN1; SMN2LMNAALDH1A1MAPK1THRB
SCHEMBL12391228 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1MAPK1THRB
Bromide SCHEMBL17079938 0.72 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1MAPK1THRB
SCHEMBL15177274 0.72 LMNA (0.46) SMN1; SMN2LMNAALDH1A1MAPK1THRB
SCHEMBL6131654 0.71 KMT2A (0.50) LMNAALDH1A1THRBPDE4AMITF
SCHEMBL18633377 0.71 CHRM1 (0.63) SMN1; SMN2LMNAALDH1A1MAPK1THRB
SCHEMBL6131588 0.70 MITF (0.44) LMNAALDH1A1PDE4AMITFPOLB
SCHEMBL6131601 0.68 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1THRBMITF

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 SMN1; SMN2 3718/4885LMNA 4114/4885ALDH1A1 3699/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 SMN1; SMN2 3718/4885LMNA 4114/4885ALDH1A1 3699/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 SMN1; SMN2 3718/4885LMNA 4114/4885ALDH1A1 3699/4885

“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.