SCHEMBL13619907

SCHEMBL13619907

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
RAB9A P51151 1/20 0.47
TNNC1 P63316 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL3310982 0.80 MAPT (0.56) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL13619902 0.77 ALDH1A1 (0.43) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL13619906 0.77 L3MBTL1 (0.46) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL8290211 0.77 MAPT (0.54) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL13619908 0.77 ALDH1A1 (0.40) MAPTTSHRTDP1KMT2ASMN1; SMN2
SCHEMBL16727259 0.76 KMT2A (0.50) MAPTTSHRTDP1MEN1KMT2A
SCHEMBL16727258 0.76 MEN1 (0.41) MAPTMAPK1L3MBTL1CYP3A4TDP1
SCHEMBL27389983 0.76 CA1 (0.58) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL218018 0.76 MAPT (0.78) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL21474173 0.76 MAPT (0.60) MAPTMAPK1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
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 (2 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 MAPT 3525/4885MAPK1 4047/4885L3MBTL1 889/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 MAPT 3525/4885MAPK1 4047/4885L3MBTL1 889/4885

“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.