SCHEMBL2601959

SCHEMBL2601959

COc1cc(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
POLB P06746 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HTT P42858 1/20 0.53
CYP3A4 P08684 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 2/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2605630 0.92 LMNA (0.73) LMNAPOLBCASP3SENP8SENP7
SCHEMBL12695915 0.86 PKM (0.55) LMNAPOLBHTTCYP3A4L3MBTL1
SCHEMBL12779095 0.86 L3MBTL1 (0.49) LMNAPOLBCASP3SENP8SENP7
SCHEMBL12937577 0.84 LMNA (0.50) LMNAPOLBCASP3SENP8SENP7
SCHEMBL18700346 0.84 PDGFRB (0.51) LMNAPOLBHTTCYP3A4L3MBTL1
SCHEMBL11251378 0.83 ALDH1A1 (0.55) LMNAPOLBHTTCYP3A4L3MBTL1
SCHEMBL19037477 0.83 TSHR (0.53) LMNAPOLBHTTCYP3A4L3MBTL1
SCHEMBL2840392 0.81 POLB (0.47) LMNAPOLBHTTCYP3A4L3MBTL1
SCHEMBL16368565 0.81 POLB (0.56) LMNAPOLBHTTCYP3A4L3MBTL1
SCHEMBL375897 0.80 PKM (0.59) LMNAPOLBCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051253-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes, and parkinson's PROTEOTECH INC. (US) 2015-06-09 US disclosed
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 US disclosed
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2014-02-06 US disclosed
US-8586585-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes and Parkinson's disease PROTEOTECH, INC. (US) 2013-11-19 US disclosed
US-20130245128-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2013-09-19 US disclosed
US-20120225890-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES AND PARKINSON'S DISEASE PROTAMED, INC. 2012-09-06 US disclosed
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease PROTAMED, INC. 2011-07-14 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 (4 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-20120225890-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES AND PARKINSON'S DISEASE IAPP, SNCA, APP LMNA 1113/4885POLB 1922/4885CASP3 1051/4885
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP LMNA 952/4885POLB 2033/4885CASP3 1043/4885
US-20130245128-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP LMNA 947/4885POLB 3484/4885CASP3 638/4885
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease IAPP, SNCA, APP LMNA 1113/4885POLB 1922/4885CASP3 1051/4885

“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.