SCHEMBL13619911

SCHEMBL13619911

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
CRHBP P24387 2/20 0.45
KMT2A Q03164 2/20 0.45
CRHR2 Q13324 2/20 0.45
ATM Q13315 1/20 0.45
TLR9 Q9NR96 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
KCNH2 Q12809 1/20 0.42
CES1 P23141 2/20 0.41
MAPT P10636 4/20 0.40
CES2 O00748 1/20 0.40
SRD5A2 P31213 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL13619915 0.79 KEAP1 (0.41) MEN1KMT2AL3MBTL1MAPTGAA
SCHEMBL13645026 0.78 ALDH1A1 (0.52) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL1126644 0.76 MMP14 (0.58) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL16727252 0.75 ALDH1A1 (0.38) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL5842632 0.74 ALDH1A1 (0.61) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL13645029 0.72 TSHR (0.46) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL13619907 0.71 MAPT (0.50) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL3157245 0.71 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL13619914 0.71 ALDH1A1 (0.44) MMP14ALDH1A1MEN1CRHBPKMT2A
SCHEMBL28750741 0.71 ALDH1A1 (0.44) MMP14ALDH1A1MEN1CRHBPKMT2A

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 MMP14 2052/4885ALDH1A1 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.