SCHEMBL13619902

SCHEMBL13619902

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ACHE P22303 1/20 0.41
NOS1 P29475 2/20 0.41
CA1 P00915 2/20 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
SCHEMBL13619914 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619931 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL16727250 0.82 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619935 0.81 L3MBTL1 (0.41) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619919 0.79 KMT2A (0.42) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL13619907 0.77 MAPT (0.50) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL14400215 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL13619910 0.75 FBP1 (0.36) ALDH1A1MAPTKDM4ENOS1CA1
SCHEMBL13619906 0.73 L3MBTL1 (0.46) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL16730043 0.73 MAPT (0.53) 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-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 ALDH1A1 37/4885L3MBTL1 889/4885MEN1 3282/4885
US-20150141378-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.