SCHEMBL1661029

SCHEMBL1661029

COc1ccc(C(CC(=O)c2ccccc2)C[N+](=O)[O-])cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 4/20 0.53
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPT P10636 6/20 0.52
LMNA P02545 4/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 3/20 0.44
TNF P01375 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL15904067 0.88 ALDH1A1 (0.52) ALDH1A1CYP2C19HTTPOLBL3MBTL1
SCHEMBL20385516 0.84 L3MBTL1 (0.75) ALDH1A1HTTPOLBL3MBTL1NPSR1
SCHEMBL22831507 0.84 L3MBTL1 (0.75) ALDH1A1HTTPOLBL3MBTL1NPSR1
SCHEMBL6562859 0.83 NPSR1 (0.74) ALDH1A1HTTPOLBL3MBTL1NPSR1
SCHEMBL22831474 0.83 NPSR1 (0.74) ALDH1A1HTTPOLBL3MBTL1NPSR1
SCHEMBL22831472 0.80 ATM (0.55) ALDH1A1CYP2C19HTTPOLBL3MBTL1
SCHEMBL6874512 0.80 ATM (0.55) ALDH1A1CYP2C19HTTPOLBL3MBTL1
SCHEMBL27750775 0.80 ATM (0.55) ALDH1A1CYP2C19HTTPOLBL3MBTL1
SCHEMBL27750754 0.80 PDPK1 (0.48) ALDH1A1HTTPOLBL3MBTL1NPSR1
SCHEMBL27750795 0.80 PDPK1 (0.48) ALDH1A1HTTPOLBL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307381-B1 NEW DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2021-01-13 EP disclosed
EP-2687513-B1 DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2020-12-02 EP disclosed
US-10435373-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-08 US disclosed
EP-2684873-B1 DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2019-01-16 EP disclosed
US-20180346426-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2018-12-06 US disclosed
US-10071966-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases LUDWIG-MAXIMALIANS-UNIVERSITAT MUNCHEN (DE) 2018-09-11 US disclosed
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
EP-2687513-A1 Drugs for inhibiting aggregation of proteins invoved in diseases linked to protein aggregation and/or neurodegenerative diseases Ludwig-Maximilians-Universität München (DE) 2014-01-22 EP disclosed
EP-2684873-A1 DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES Ludwig-Maximilians-Universität München (DE) 2014-01-15 EP disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 US disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 US disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 US disclosed
EP-2307381-A2 NEW DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES Ludwig-Maximilians-Universität München (DE) 2011-04-13 EP disclosed
WO-2010000372-A2 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2010-01-07 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 (5 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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK ALDH1A1 3689/4885CYP2C19 4745/4885HTT 5/4885
US-10071966-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases PARK7, APP, HYPK ALDH1A1 3689/4885CYP2C19 4745/4885HTT 5/4885
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, HYPK, IK ALDH1A1 4461/4885CYP2C19 4728/4885HTT 13/4885
US-20180346426-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK ALDH1A1 3689/4885CYP2C19 4745/4885HTT 5/4885
US-10435373-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases PARK7, APP, HYPK ALDH1A1 3689/4885CYP2C19 4745/4885HTT 5/4885

“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.