SCHEMBL6278108

SCHEMBL6278108

O=C1c2cccc3cccc(c23)C(=O)N1CCCNCO

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.78
▸ HEXA P06865 6/20 0.69
▸ HEXB P07686 6/20 0.69
▸ OGA O60502 1/20 0.69
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ GAA P10253 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ HDAC3 O15379 1/20 0.59
▸ LTA4H P09960 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC11 Q96DB2 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59

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
Bnipdpta SCHEMBL13909966 0.91 SIRT1 (0.88) SIRT1HEXAHEXBOGAKMT2A
Bnipdeta SCHEMBL13909965 0.91 SIRT1 (0.88) SIRT1HEXAHEXBOGAKMT2A
SCHEMBL13909979 0.91 SIRT1 (0.88) SIRT1HEXAHEXBOGAKMT2A
SCHEMBL6278151 0.91 HEXA (0.84) SIRT1HEXAHEXBOGAKMT2A
SCHEMBL13909963 0.91 SIRT1 (0.94) SIRT1HEXAHEXBOGAKMT2A
SCHEMBL13909961 0.89 SIRT1 (0.97) SIRT1HEXAHEXBOGAKMT2A
SCHEMBL14548884 0.89 SIRT1 (0.81) SIRT1HEXAHEXBOGAKMT2A
Bnipdanon SCHEMBL13909969 0.89 SIRT1 (0.97) SIRT1HEXAHEXBOGAKMT2A
Bnipspd SCHEMBL13909975 0.89 SIRT1 (0.91) SIRT1HEXAHEXBOGAKMT2A
Bnipdadec SCHEMBL13909967 0.89 SIRT1 (0.97) SIRT1HEXAHEXBOGAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 — — US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 — — US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 — — US disclosed
US-20050239833-A1 Compositions and methods for modulating interaction between polypeptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-10-27 — — US disclosed
WO-2005087217-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2005-09-22 — — 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-20050239833-A1 Compositions and methods for modulating interaction between polypeptides IAPP, SERPINA6, SERPINA2 SIRT1 4286/4885HEXA 1620/4885HEXB 1556/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 SIRT1 4286/4885HEXA 1620/4885HEXB 1556/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 SIRT1 4286/4885HEXA 1620/4885HEXB 1556/4885

“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.

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