SCHEMBL16459234

SCHEMBL16459234

Cc1ccc(N2C[C@H]3C[C@@H]2CN3C2=NC=CCN2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HTT P42858 2/20 0.32
GFER P55789 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL16459277 0.73 HDAC1 (0.43) MAPT
SCHEMBL20322515 0.69 KCNH2 (0.45) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL20231005 0.69 KCNH2 (0.45) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL7243686 0.69 KCNH2 (0.45) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL1366894 0.67 ALDH1A1 (0.55) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL16459236 0.66 MAPT (0.33) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL21025630 0.65 MAPT (0.35) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL25900772 0.65 MAP3K12 (0.38) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL25890068 0.65 DRD3 (0.44) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL14768030 0.64 MMP13 (0.50) MAPTTDP1LMNAL3MBTL1ALDH1A1

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 MAPT 3745/4885NPSR1 2599/4885TDP1 2110/4885

“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.