SCHEMBL978801

SCHEMBL978801

CC(=O)Nc1ccc(C(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
HTT P42858 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
ALDH3A1 P30838 1/20 0.47
HCAR3 P49019 3/20 0.47
MYOC Q99972 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9196220 0.88 MAPT (0.58) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL976680 0.88 KMT2A (0.56) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL976683 0.88 KMT2A (0.56) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL15010214 0.88 NPSR1 (0.50) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL28921806 0.87 MAPT (0.57) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL11226290 0.86 KMT2A (0.56) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL12053487 0.86 MAPT (0.56) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL9198089 0.86 MAPT (0.56) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL4141603 0.85 MAPT (0.54) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL2556912 0.83 MEN1 (0.49) MAPTNPSR1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 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 (3 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 MAPT 2144/4885NPSR1 4087/4885HTT 1529/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MAPT 4715/4885NPSR1 4865/4885HTT 4717/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 MAPT 4669/4885NPSR1 436/4885HTT 3061/4885

“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.