SCHEMBL10121479

SCHEMBL10121479

O=C(CO[N+](=O)[O-])Nc1ccc(OC(=O)COC(=O)CCCCCOCCCCO[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KLK7 P49862 1/20 0.39
ATM Q13315 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL10121485 0.83 ALDH1A1 (0.44) MAPTMEN1KMT2AKLK7ALDH1A1
SCHEMBL10121480 0.83 ATM (0.36) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL10019901 0.77 MAPT (0.51) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL13653026 0.76 KMT2A (0.48) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL13624511 0.75 MEN1 (0.45) MAPTMEN1KMT2AKLK7ATM
SCHEMBL13611346 0.75 MEN1 (0.45) MAPTMEN1KMT2AKLK7ATM
SCHEMBL10121488 0.74 ITGB3 (0.41) ROCK2ROCK1
SCHEMBL1535326 0.73 MAPT (0.52) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL13242624 0.72 CA12 (0.46) MAPTKMT2AALDH1A1
SCHEMBL17554594 0.71 BCL9 (0.61) MAPTKMT2AL3MBTL1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 US disclosed
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 US disclosed
US-8062653-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-11-22 US disclosed
US-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOMEDICAL, LLC. (US) 2010-08-19 US 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-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 ROCK2 1160/4885ROCK1 505/4885MAPT 1640/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 ROCK2 1160/4885ROCK1 505/4885MAPT 1640/4885

“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.