SCHEMBL17080656

SCHEMBL17080656

CCOCCNC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL18355961 0.89 LMNA (0.51) LMNAMAPTGAAMEN1KMT2A
SCHEMBL18355571 0.87 LMNA (0.49) LMNAMAPTGAAMEN1KMT2A
SCHEMBL18356265 0.87 MEN1 (0.53) LMNAMAPTGAAMEN1KMT2A
SCHEMBL16260534 0.86 LMNA (0.48) LMNAMAPTGAAMEN1KMT2A
SCHEMBL29955561 0.86 GAA (0.49) LMNAMAPTGAAMEN1KMT2A
SCHEMBL26265696 0.85 MEN1 (0.51) LMNAMAPTGAAMEN1KMT2A
SCHEMBL15999479 0.84 ALDH1A1 (0.53) LMNAMAPTGAAMEN1KMT2A
SCHEMBL23481519 0.84 PKM (0.51) LMNAMAPTGAAMEN1KMT2A
SCHEMBL29952246 0.84 PKM (0.51) LMNAMAPTGAAMEN1KMT2A
SCHEMBL29955877 0.83 MAPT (0.45) LMNAMAPTGAAMEN1KMT2A

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-20170000902-A1 EGFR-TARGETED NANOPARTICLES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-01-05 US disclosed
US-9446149-B2 Nanoparticles stabilized with nitrophenylboronic acid compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160000934-A1 NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-9132097-B2 Nanoparticles stabilized with nitrophenylboronic acid compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-15 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-20160000934-A1 NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS NCL, B3GNT2, NBAS LMNA 653/4885MAPT 205/4885GAA 589/4885
US-20170000902-A1 EGFR-TARGETED NANOPARTICLES EGFR, ERBB2, ERBB3 LMNA 2532/4885MAPT 1113/4885GAA 507/4885

“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.