SCHEMBL3146288

SCHEMBL3146288

CC(C)(C)OC(=O)NCCC(=O)Nc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.48

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
SCHEMBL23976267 0.87 GAA (0.56) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6174559 0.83 BCHE (0.54) GAAKDM4EL3MBTL1POLBHTT
SCHEMBL29695306 0.82 NPC1 (0.58) GAAKDM4EPOLBHTTSMN1; SMN2
SCHEMBL222110 0.82 NPC1 (0.58) GAAKDM4EPOLBHTTSMN1; SMN2
SCHEMBL1307345 0.82 DRD2 (0.55) GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL4400612 0.81 POLB (0.58) KDM4EPOLBHTTSMN1; SMN2ALDH1A1
SCHEMBL4398713 0.81 POLB (0.58) KDM4EL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL16516027 0.81 XIAP (0.53) KDM4EL3MBTL1POLBSMN1; SMN2ALDH1A1
Bromide SCHEMBL27496198 0.81 NPC1 (0.56) GAAKDM4EPOLBHTTSMN1; SMN2
SCHEMBL6957779 0.81 STK17B (0.49) HTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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 (1 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB GAA 1065/4885HDAC3 1101/4885HDAC4 1449/4885

“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.