SCHEMBL18115161

SCHEMBL18115161

O=C(CCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
TDP1 Q9NUW8 1/20 0.42
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
GAA P10253 1/20 0.41
MGLL Q99685 2/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PKM P14618 1/20 0.39
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14894609 1.00 BCL9 (0.54) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL10104180 1.00 BCL9 (0.54) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL13242628 0.90 BCL9 (0.42) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL10104154 0.88 BCL9 (0.61) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL12348677 0.86 BCL9 (0.43) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL12348666 0.86 BCL9 (0.43) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL18115164 0.84 BCL9 (0.53) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL2277744 0.84 BCL9 (0.53) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL396866 0.82 BCL9 (0.60) BCL9CTNNB1TDP1PTPN7PTPN12
SCHEMBL13242608 0.82 BCL9 (0.44) BCL9CTNNB1PTPN7PTPN12PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 US disclosed
WO-2016155906-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2016-10-06 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 (2 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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR BCL9 2708/4885CTNNB1 4105/4885TDP1 1382/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR BCL9 2708/4885CTNNB1 4105/4885TDP1 1382/4885

“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.