SCHEMBL396866

SCHEMBL396866

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.60
CTNNB1 P35222 1/20 0.60
GAA P10253 1/20 0.46
MGLL Q99685 2/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR2A P28223 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
EGFR P00533 2/20 0.43
ERBB2 P04626 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL396867 1.00 BCL9 (0.60) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL10104154 0.85 BCL9 (0.61) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL19203693 0.83 BCL9 (0.65) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL14894609 0.82 BCL9 (0.54) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL10104180 0.82 BCL9 (0.54) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL18115161 0.82 BCL9 (0.54) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL531007 0.82 BCL9 (0.76) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL3919600 0.82 BCL9 (0.76) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL398479 0.81 HTR2A (0.53) BCL9CTNNB1GAAMGLLMAPT
SCHEMBL398478 0.81 HTR2A (0.53) BCL9CTNNB1GAAMGLLMAPT

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 BCL9 2183/4885CTNNB1 4327/4885GAA 3648/4885

“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.