SCHEMBL5281645

SCHEMBL5281645

O=C(O)NC(CCCCNC(=O)COCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.52
HDAC4 P56524 7/20 0.51
HDAC6 Q9UBN7 7/20 0.51
KDR P35968 2/20 0.46
MEF2D Q14814 2/20 0.45
EP300 Q09472 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TGM2 P21980 1/20 0.41
RAB9A P51151 1/20 0.41
NFKBIA P25963 1/20 0.39

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
SCHEMBL5281624 1.00 HDAC1 (0.52) HDAC1HDAC4HDAC6KDRMEF2D
SCHEMBL8260503 0.92 HDAC1 (0.64) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL5287405 0.91 HDAC1 (0.62) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL5278245 0.89 HDAC1 (0.55) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL8260908 0.83 HDAC1 (0.73) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL8259289 0.81 HDAC1 (0.68) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL5280487 0.81 HDAC1 (0.60) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL5280493 0.81 HDAC1 (0.60) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL5281051 0.79 ANPEP (0.53) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL5281071 0.79 ANPEP (0.53) HDAC1HDAC4HDAC6MEF2DEP300

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC4 7/4885HDAC6 17/4885

“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.