SCHEMBL10102734

SCHEMBL10102734

O=C(O)CCCCCCc1nnc(-c2ccccc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
CES1 P23141 2/20 0.59
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
NR4A2 P43354 2/20 0.57
NR1H4 Q96RI1 1/20 0.56
NOTUM Q6P988 2/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53

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
SCHEMBL561946 0.88 NR1H4 (0.69) HDAC8RXRARXRBNR4A2NR1H4
SCHEMBL18220915 0.85 HDAC8 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7974806 0.84 NOTUM (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL13698879 0.82 FAAH (0.62) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7974803 0.82 NOTUM (0.55) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4182528 0.82 KDM4E (0.54) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7366770 0.81 HDAC1 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1809729 0.81 FAAH (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6743731 0.80 ALDH1A1 (0.56) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL14499477 0.78 NPC1 (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed
EP-1478233-B1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECH INC (US) 2016-11-09 EP disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
EP-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 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 (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-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 HDAC8 3308/4885HDAC3 2912/4885HDAC4 3003/4885
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 HDAC8 3308/4885HDAC3 2912/4885HDAC4 3003/4885
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 HDAC8 3308/4885HDAC3 2912/4885HDAC4 3003/4885

“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.