SCHEMBL6358652

SCHEMBL6358652

CCCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.74
HDAC1 Q13547 9/20 0.74
HDAC2 Q92769 8/20 0.74
HDAC4 P56524 5/20 0.69
HDAC7 Q8WUI4 5/20 0.69
HDAC10 Q969S8 5/20 0.69
HDAC11 Q96DB2 5/20 0.69
HDAC8 Q9BY41 5/20 0.69
HDAC6 Q9UBN7 5/20 0.69
HDAC9 Q9UKV0 5/20 0.69
HDAC5 Q9UQL6 5/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
OPRM1 P35372 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
NAAA Q02083 1/20 0.58
DRD3 P35462 2/20 0.56
DRD2 P14416 1/20 0.56

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
SCHEMBL3247728 0.94 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL9099931 0.94 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28444240 0.94 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11220445 0.94 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10600882 0.94 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6360257 0.90 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL19291326 0.87 NPC1 (0.62) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL17902663 0.86 L3MBTL1 (0.63) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11584795 0.85 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6638846 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304506-B Preparation method of secondary amide compound by activating primary amide through boron salt catalysis 中国人民解放军国防科技大学 2023-11-14 CN disclosed
US-11731934-B2 HDAC inhibitor compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-08-22 US disclosed
CN-116041199-A Synthesis method of amide compound 湖南中医药大学 2023-05-02 CN disclosed
CN-115974711-A Preparation method of aryl amide compound by using aromatic ester catalytically activated by boron salt 湖南农业大学 2023-04-18 CN disclosed
CN-115304506-A Preparation method of secondary amide compound by activating primary amide under catalysis of boron salt 中国人民解放军国防科技大学 2022-11-08 CN disclosed
US-20170174619-A1 HDAC INHIBITOR COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-06-22 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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 (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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 HDAC3 843/4885HDAC1 1308/4885HDAC2 2021/4885
US-20170174619-A1 HDAC INHIBITOR COMPOUNDS AND METHODS OF TREATMENT HDAC4, HDAC1, HDAC5 HDAC3 4/4885HDAC1 2/4885HDAC2 5/4885
US-11731934-B2 HDAC inhibitor compounds and methods of treatment HDAC4, HDAC1, HDAC5 HDAC3 4/4885HDAC1 2/4885HDAC2 5/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 HDAC3 843/4885HDAC1 1308/4885HDAC2 2021/4885

“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.