SCHEMBL2265249

SCHEMBL2265249

CCC(N=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL27508148 0.80 CA1 (0.47) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL2265246 0.78 IDO1 (0.50) HTR2ACA1CA2ALDH1A1TSHR
SCHEMBL6377945 0.78 HTR2A (0.49) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL6377951 0.78 HTR2A (0.49) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL30579722 0.77 BCL9 (0.51) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL10875695 0.74 BCL9 (0.49) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL10876891 0.74 CYP19A1 (0.46) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL27624600 0.74 CYP19A1 (0.46) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL5044150 0.74 BCL9 (0.49) HTR2ABCL9CTNNB1CA1CA2
SCHEMBL21633908 0.74 MEN1 (0.51) HTR2ABCL9CTNNB1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569536-B2 C-nitroso-derived nitroxyl donors WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2013-10-29 US disclosed
US-20130040919-A1 C-NITROSO-DERIVED NITROXYL DONORS KING S BRUCE (US) 2013-02-14 US disclosed
US-8269034-B2 C-nitroso-derived nitroxyl donors WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2012-09-18 US disclosed
US-20110263674-A1 C-NITROSO-DERIVED NITROXYL DONORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US disclosed
US-7989652-B2 C-nitroso-derived nitroxyl donors WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2011-08-02 US disclosed
US-20100173970-A1 C-NITROSO-DERIVED NITROXYL DONORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-08 US disclosed
US-7696373-B2 C-nitroso-derived nitroxyl donors WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2010-04-13 US disclosed
US-20090137668-A1 C-NITROSO-DERIVED NITROXYL DONORS WAKE FOREST UNIVERSITY HEALTH SCIENCES 2009-05-28 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 (4 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-20110263674-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 HTR2A 2011/4885BCL9 2016/4885CTNNB1 2241/4885
US-20130040919-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 HTR2A 2011/4885BCL9 2016/4885CTNNB1 2241/4885
US-20100173970-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 HTR2A 2011/4885BCL9 2016/4885CTNNB1 2241/4885
US-20090137668-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 HTR2A 2348/4885BCL9 1946/4885CTNNB1 2086/4885

“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.