SCHEMBL400377

SCHEMBL400377

O=C(Cl)CCCCO[N+](=O)OCCCCC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL14696961 0.93 ALDH1A1 (0.42) ALDH1A1TSHRTP53
SCHEMBL400376 0.83 ALDH1A1 (0.40) ALDH1A1TSHRTP53
SCHEMBL401034 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTP53
SCHEMBL5039623 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTP53
SCHEMBL132364 0.74 TSHR (0.67) ALDH1A1TSHRTP53
SCHEMBL10081170 0.73
SCHEMBL22958440 0.73 DGKA (0.41) ALDH1A1TSHR
SCHEMBL6053378 0.71
SCHEMBL13226831 0.71 ALDH1A1 (0.52) ALDH1A1TSHRTP53
SCHEMBL10036589 0.71 ALDH1A1 (0.52) ALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274279-B1 NITRIC OXIDE DONATING PROSTAMIDES NICOX SA (FR) 2013-07-31 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 EP disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 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 (1 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-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 ALDH1A1 936/4885TSHR 3475/4885TP53 4303/4885

“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.