SCHEMBL13619906

SCHEMBL13619906

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA9 Q16790 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL13619913 0.84 L3MBTL1 (0.42) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL16727251 0.81 MAPT (0.39) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL13619907 0.77 MAPT (0.50) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL13619912 0.75 FBP1 (0.36) MAPTCA9CA1CA2CA12
SCHEMBL26042917 0.74 MAPT (0.59) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL7608335 0.74 MAPT (0.55) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL13619902 0.73 ALDH1A1 (0.43) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL7241947 0.73 ALDH1A1 (0.49) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL536956 0.72 MAPT (0.51) L3MBTL1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL13619931 0.71 ALDH1A1 (0.44) L3MBTL1MAPTMAPK1CYP1A2CYP3A4

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-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

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 L3MBTL1 889/4885MAPT 3525/4885MAPK1 4047/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 L3MBTL1 889/4885MAPT 3525/4885MAPK1 4047/4885

“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.