SCHEMBL398277

SCHEMBL398277

CC(O)CCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
MAPT P10636 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
GAA P10253 1/20 0.46
MGLL Q99685 2/20 0.45
ALDH1A1 P00352 1/20 0.43
ACHE P22303 1/20 0.42
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL398276 1.00 HTR2A (0.56) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL25063334 0.90 MAPT (0.56) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL9846616 0.87 HTR2A (0.58) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL398478 0.86 HTR2A (0.53) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL398479 0.86 HTR2A (0.53) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL10062012 0.86 HTR2A (0.56) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL22959846 0.86 HTR2A (0.56) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL763025 0.85 HTR2A (0.57) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL6600772 0.84 HTR2A (0.61) HTR2AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL1958366 0.84 MGLL (0.60) HTR2AMAPTCRHBPCRHR2L3MBTL1

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 HTR2A 1389/4885MAPT 4448/4885CRHBP 2417/4885

“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.