SCHEMBL13619939

SCHEMBL13619939

Cc1ccc(N(C)/[N+]([O-])=N/O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ACHE P22303 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
MCL1 Q07820 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AGER Q15109 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL13619908 0.82 ALDH1A1 (0.40) ALDH1A1TSHRMAPTHSD17B10TDP1
SCHEMBL13619907 0.79 MAPT (0.50) ALDH1A1TSHRMAPTACHEHSD17B10
SCHEMBL13619905 0.77 KIF11 (0.39) ALDH1A1TSHRHSD17B10SMN1; SMN2GAA
SCHEMBL11837139 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMCOLN3ACHE
SCHEMBL11837133 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMCOLN3ACHE
SCHEMBL11072296 0.67 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMCOLN3ACHE
SCHEMBL2351631 0.65 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMCOLN3ACHE
SCHEMBL18595403 0.64 ALDH1A1 (0.60) ALDH1A1TSHRMAPTMCOLN3ACHE
Methyl Alcohol SCHEMBL9500919 0.64 ALDH1A1 (0.88) ALDH1A1TSHRMAPTACHEHSD17B10
SCHEMBL1116059 0.64 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMCOLN3ACHE

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 37/4885TSHR 4834/4885MAPT 3525/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 ALDH1A1 37/4885TSHR 4834/4885MAPT 3525/4885

“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.