SCHEMBL13619917

SCHEMBL13619917

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CTBP2 P56545 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
NR1H3 Q13133 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
SNCA P37840 1/20 0.33
MLYCD O95822 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
PDK2 Q15119 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL13619910 0.84 FBP1 (0.36) FBP1CA1CA2MAPTTHRB
SCHEMBL13619927 0.79 NR1H3 (0.41) FBP1CA1CA2MAPTNR1H3
SCHEMBL16727255 0.77 FBP1 (0.36) FBP1CA1CA2MAPTTHRB
SCHEMBL13619938 0.75 NR1H3 (0.39) FBP1CA1CA2MAPTNR1H3
SCHEMBL16730054 0.74 KMT2A (0.40) CA1CA2NR1H3SLC22A12MLYCD
SCHEMBL13619909 0.72 FBP1 (0.39) FBP1CA1CA2MAPTTHRB
SCHEMBL13619916 0.72 MMP1 (0.38) FBP1CA1CA2CTBP2MAPT
SCHEMBL13619925 0.71 CA1 (0.45) CA1CA2CTBP2MAPTTHRB
SCHEMBL13619915 0.71 KEAP1 (0.41) FBP1CA1CA2CTBP2MAPT
SCHEMBL13619926 0.70 TSHR (0.42) FBP1CA1CA2CTBP2SNCA

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 FBP1 1637/4885CA1 2401/4885CA2 3117/4885

“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.