SCHEMBL396929

SCHEMBL396929

COC(=O)Oc1cc([N+](=O)[O-])c(Br)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
POLB P06746 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GALR3 O60755 1/20 0.36

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
SCHEMBL3983709 0.93 ALDH1A1 (0.38) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL21629536 0.91 MAPT (0.37) ALDH1A1NPSR1MAPTGAAABCB1
SCHEMBL377141 0.89 CUL4A (0.40) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL29551353 0.87 ALDH1A1 (0.41) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL395029 0.87 ALDH1A1 (0.41) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL3983716 0.86 ALDH1A1 (0.38) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL3983714 0.86 ALDH1A1 (0.38) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL16217686 0.86 KMT2A (0.39) ALDH1A1NPSR1TSHRTDP1MAPT
SCHEMBL397160 0.84 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRTDP1GAA
SCHEMBL395626 0.83 ALDH1A1 (0.48) ALDH1A1TSHRTDP1MAPTABCB1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078136-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2026-03-19 US disclosed
EP-3691638-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2024-12-11 EP disclosed
US-20240368198-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2024-11-07 US disclosed
US-20240109922-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2024-04-04 US disclosed
US-11248010-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2022-02-15 US disclosed
US-20210369749-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2021-12-02 US disclosed
EP-3440057-B1 SILICONE ATOMS CONTAINING IVACAFTOR ANALOGUES PROTEOSTASIS THERAPEUTICS INC (US) 2021-09-22 EP disclosed
US-20210061823-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2021-03-04 US disclosed
EP-3691638-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2020-08-12 EP disclosed
US-10662207-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-05-26 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 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 (9 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-20240109922-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3612/4885NPSR1 4383/4885TSHR 3827/4885
US-20210369749-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, ATP5ME ALDH1A1 3426/4885NPSR1 4255/4885TSHR 4373/4885
US-20240368198-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3612/4885NPSR1 4383/4885TSHR 3827/4885
US-11248010-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3612/4885NPSR1 4383/4885TSHR 3827/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885NPSR1 3758/4885TSHR 2753/4885
US-20210061823-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3612/4885NPSR1 4383/4885TSHR 3827/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885NPSR1 3710/4885TSHR 2802/4885
US-20260078136-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1A ALDH1A1 2383/4885NPSR1 2425/4885TSHR 2019/4885
US-10662207-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3612/4885NPSR1 4383/4885TSHR 3827/4885

“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.