SCHEMBL13619922

SCHEMBL13619922

O=[N+]([O-])c1ccc2c(ccn2/[N+]([O-])=N/O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
GLS O94925 1/20 0.43
GPR35 Q9HC97 1/20 0.42
KRAS P01116 1/20 0.41
CYP19A1 P11511 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
MAOB P27338 1/20 0.41
NOS1 P29475 1/20 0.41
CDC7 O00311 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
PRMT1 Q99873 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3218015 0.75 SLC6A2 (0.51) SLC6A2GLSCYP19A1POLBMAPT
SCHEMBL28030880 0.75 SLC6A2 (0.51) SLC6A2GLSKRASCYP19A1POLB
SCHEMBL28281973 0.75 SLC6A2 (0.51) SLC6A2GLSCYP19A1POLBMAPT
SCHEMBL1098394 0.75 CYP19A1 (0.51) SLC6A2GLSCYP19A1MAPTMEN1
SCHEMBL3224421 0.75 SLC6A2 (0.51) SLC6A2GLSCYP19A1POLBMAPT
SCHEMBL28142780 0.75 SLC6A2 (0.51) SLC6A2GLSCYP19A1POLBMAPT
SCHEMBL2927570 0.74 SLC6A2 (0.48) SLC6A2GLSKRASCYP19A1MAOB
SCHEMBL12475322 0.74 PLG (0.51) SLC6A2GLSKRASCYP19A1POLB
SCHEMBL2073227 0.74 SLC6A2 (0.48) SLC6A2GLSCYP19A1POLBMAPT
SCHEMBL29642981 0.73 NOTUM (0.51) SLC6A2KRASCYP19A1MAPTMEN1

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 SLC6A2 1890/4885GLS 810/4885GPR35 1893/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 SLC6A2 1890/4885GLS 810/4885GPR35 1893/4885

“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.