SCHEMBL16459138

SCHEMBL16459138

N#Cc1cccc(N2CC3CC2CN3C2=NC=CCN2O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.44
NOTUM Q6P988 2/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PIK3R1 P27986 3/20 0.34

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
SCHEMBL16459234 0.75 MAPT (0.35)
SCHEMBL12461087 0.73 PIK3CD (0.54) PIK3CDNOTUMDRD2DRD3PIK3R1
SCHEMBL7952074 0.73 PIK3CD (0.49) PIK3CDNOTUMDRD2DRD3CHRNB2
SCHEMBL16459140 0.71 PIK3CD (0.42) PIK3CDNOTUMDRD2DRD3CHRNB2
SCHEMBL1366089 0.71 NOTUM (0.48) PIK3CDNOTUMDRD2DRD3PIK3R1
SCHEMBL1365674 0.68 PIK3CD (0.46) PIK3CDNOTUMPIK3R1
SCHEMBL1365252 0.67 PIK3CD (0.48) PIK3CDNOTUMPIK3R1
SCHEMBL1366893 0.67 PIK3CD (0.48) PIK3CDNOTUMPIK3R1
SCHEMBL1367657 0.66 AR (0.49) PIK3CDNOTUM
SCHEMBL1367658 0.66 AR (0.49) PIK3CDNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 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 (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-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 PIK3CD 1903/4885NOTUM 2202/4885DRD2 947/4885

“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.