SCHEMBL2265246

SCHEMBL2265246

CCC(N=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
AKR1C3 P42330 1/20 0.45
HTR2A P28223 1/20 0.44
MAOB P27338 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL2265249 0.78 HTR2A (0.46) HTR2AHTTRAB9AL3MBTL1CA1
SCHEMBL17662368 0.77 IDO1 (0.59) IDO1AKR1C3HTR2AMAOBLOXL2
SCHEMBL8424295 0.74 IDO1 (0.56) IDO1AKR1C3HTR2AMAOBLOXL2
SCHEMBL16978750 0.74 IDO1 (0.56) IDO1AKR1C3HTR2AMAOBLOXL2
SCHEMBL20905140 0.74 IDO1 (0.51) IDO1AKR1C3HTR2AMAOBLOXL2
SCHEMBL29143227 0.74 IDO1 (0.59) IDO1AKR1C3MAOBLOXL2RAB9A
SCHEMBL6141234 0.72 IDO1 (0.53) IDO1AKR1C3HTR2AMAOBLOXL2
SCHEMBL7087223 0.72 IDO1 (0.61) IDO1AKR1C3MAOBLOXL2RAB9A
SCHEMBL17636185 0.72 IDO1 (0.61) IDO1AKR1C3MAOBLOXL2RAB9A
SCHEMBL27818391 0.72 IDO1 (0.61) IDO1AKR1C3MAOBLOXL2RAB9A

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 10 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
EP-2010476-A2 C-NITROSO-DERIVED NITROXYL DONORS Wake Forest University Health Sciences (US) 2009-01-07 EP disclosed
WO-2007120839-A2 C-NITROSO-DERIVED NITROXYL DONORS WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2007-10-25 WO 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 IDO1 352/4885AKR1C3 48/4885HTR2A 2011/4885
US-20130040919-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 IDO1 352/4885AKR1C3 48/4885HTR2A 2011/4885
US-20100173970-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 IDO1 352/4885AKR1C3 48/4885HTR2A 2011/4885
US-20090137668-A1 C-NITROSO-DERIVED NITROXYL DONORS NOS1, NOS2, NOS3 IDO1 372/4885AKR1C3 40/4885HTR2A 2348/4885

“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.