SCHEMBL6278151

SCHEMBL6278151

O=C1c2cccc3cccc(c23)C(=O)N1CCNCO

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 11/20 0.84
▸ HEXB P07686 11/20 0.84
▸ OGA O60502 2/20 0.84
▸ SIRT1 Q96EB6 3/20 0.77
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 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
SCHEMBL31011151 0.92 HEXA (1.00) HEXAHEXBOGASIRT1KDM4E
SCHEMBL4408773 0.92 HEXA (1.00) HEXAHEXBOGASIRT1KDM4E
SCHEMBL6278108 0.91 SIRT1 (0.78) HEXAHEXBOGASIRT1MEN1
Elinafide SCHEMBL6256967 0.87 SIRT1 (1.00) HEXAHEXBOGASIRT1MEN1
Elinafide SCHEMBL29441732 0.87 SIRT1 (1.00) HEXAHEXBOGASIRT1MEN1
Elinafide SCHEMBL19067 0.87 SIRT1 (1.00) HEXAHEXBOGASIRT1MEN1
SCHEMBL8396162 0.87 SIRT1 (0.94) HEXAHEXBOGASIRT1MEN1
Hydrochloric Acid SCHEMBL5748029 0.83 HEXA (0.82) HEXAHEXBOGASIRT1MEN1
SCHEMBL9092483 0.83 HEXA (0.82) HEXAHEXBOGASIRT1
SCHEMBL4997995 0.83 HEXA (1.00) HEXAHEXBOGASIRT1MEN1

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-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-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 HEXA 1620/4885HEXB 1556/4885OGA 1819/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 HEXA 1620/4885HEXB 1556/4885OGA 1819/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 HEXA 1620/4885HEXB 1556/4885OGA 1819/4885

“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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