SCHEMBL13619916

SCHEMBL13619916

CC(C(=O)O)N(c1ccc(C#N)cc1)/[N+]([O-])=N/O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
FBP1 P09467 3/20 0.35
CTBP2 P56545 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GSK3B P49841 1/20 0.33
PRSS1 P07477 2/20 0.33
CTSG P08311 2/20 0.33
CTRB1 P17538 2/20 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
SCHEMBL13619912 0.84 FBP1 (0.36) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13619913 0.80 L3MBTL1 (0.42) KMT2AMEN1MAPT
SCHEMBL16727254 0.77 FBP1 (0.36) MMP1MMP2MMP3CHRNB2CHRNB4
SCHEMBL16730047 0.74 CHRNB2 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13619909 0.72 FBP1 (0.39) MMP3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13619917 0.72 FBP1 (0.38) CA1CA2FBP1CTBP2PRSS1
SCHEMBL16730128 0.71 SLC6A2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CA2
SCHEMBL13619925 0.71 CA1 (0.45) CA1CA2CTBP2KMT2AMEN1
SCHEMBL13619915 0.71 KEAP1 (0.41) MMP2MMP13CA1CA2FBP1
SCHEMBL13619926 0.70 TSHR (0.42) CA1CA2FBP1CTBP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 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 (1 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-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 MMP1 581/4885MMP2 2419/4885MMP3 1307/4885

“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.