SCHEMBL13619913

SCHEMBL13619913

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CRHR2 Q13324 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
MMP14 P50281 1/20 0.40

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
SCHEMBL13619906 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1MEN1CRHBPKMT2A
SCHEMBL13619916 0.80 MMP1 (0.38) MEN1KMT2AMAPT
SCHEMBL7782935 0.79 ALDH1A1 (0.47) L3MBTL1ALDH1A1MEN1CRHBPKMT2A
SCHEMBL27571004 0.78 L3MBTL1 (0.47) L3MBTL1ALDH1A1MEN1CRHBPKMT2A
SCHEMBL16727251 0.76 MAPT (0.39) L3MBTL1ALDH1A1MEN1CRHBPKMT2A
SCHEMBL13619907 0.73 MAPT (0.50) L3MBTL1ALDH1A1MEN1CRHBPKMT2A
SCHEMBL11648038 0.72 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL8373359 0.72 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL8371983 0.72 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL13619914 0.72 ALDH1A1 (0.44) L3MBTL1ALDH1A1MEN1CRHBPKMT2A

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 L3MBTL1 889/4885ALDH1A1 37/4885MEN1 3282/4885

“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.