SCHEMBL5151082

SCHEMBL5151082

O=[N+]([O-])OC[CH]CO[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.30

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
SCHEMBL4695529 0.83
SCHEMBL15406243 0.78
SCHEMBL170638 0.75
SCHEMBL7272701 0.75
Methane SCHEMBL27943234 0.73
SCHEMBL2489865 0.73
Ammonia Solution, Strong SCHEMBL88330 0.73
Charcoal, Activated SCHEMBL4900853 0.73
SCHEMBL10703460 0.72
SCHEMBL27281565 0.72 ALDH1A1 (0.53) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197494-A1 NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES EUCLISES PHARMACEUTICALS INC (US) 2015-07-16 US claimed
US-10266511-B2 No-releasing nitrooxy-chromene conjugates Euclises Pharmaceuticals, Inc. (US) 2019-04-23 US disclosed
US-20160340330-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES Euclises Pharmaceuticals, Inc. 2016-11-24 US disclosed
US-20150197494-A1 NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES EUCLISES PHARMACEUTICALS INC (US) 2015-07-16 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-4992451-A Hypotensive agents, calcium blocking agents SANKYO COMPANY, LIMITED (JP) 1991-02-12 US disclosed
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP 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-10266511-B2 No-releasing nitrooxy-chromene conjugates NOS1, NOS2, NOS3 ALDH1A1 580/4885TSHR 900/4885
US-20160340330-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES NOS1, NOS2, NOS3 ALDH1A1 580/4885TSHR 900/4885
US-20150197494-A1 NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES NOS1, NOS2, PTGS1 ALDH1A1 307/4885TSHR 3596/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 ALDH1A1 883/4885TSHR 2536/4885

“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.