SCHEMBL17080658

SCHEMBL17080658

CCOCCNC(=O)c1ccc([N+](=O)[O-])c(B(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 4/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL15999477 0.84 ALDH1A1 (0.72) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL3587685 0.84 LMNA (0.56) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL18532453 0.84 LMNA (0.55) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL18532399 0.80 LMNA (0.62) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL26033234 0.80 LMNA (0.51) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL17080657 0.80 POLB (0.43) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL12410537 0.78 MEN1 (0.68) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL17080656 0.76 LMNA (0.52) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL27199967 0.76 KMT2A (0.59) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL16324795 0.76 ALDH1A1 (0.67) LMNAPOLBALDH1A1MEN1KMT2A

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 653/4885POLB 832/4885ALDH1A1 2606/4885
US-20170000902-A1 EGFR-TARGETED NANOPARTICLES EGFR, ERBB2, ERBB3 LMNA 2532/4885POLB 3470/4885ALDH1A1 4372/4885

“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.