SCHEMBL13619931

SCHEMBL13619931

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CRHR2 Q13324 1/20 0.44
TLR9 Q9NR96 1/20 0.44
RORC P51449 1/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CES1 P23141 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 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
SCHEMBL13619935 0.89 L3MBTL1 (0.41) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619902 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619914 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619929 0.78 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL16727250 0.77 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619907 0.75 MAPT (0.50) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619927 0.75 NR1H3 (0.41) ALDH1A1MEN1KMT2ARORCMAPT
SCHEMBL16730053 0.73 MAPT (0.51) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL9834305 0.71 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619906 0.71 L3MBTL1 (0.46) ALDH1A1L3MBTL1MEN1CRHBPKMT2A

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 ALDH1A1 37/4885L3MBTL1 889/4885MEN1 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.