SCHEMBL4295091

SCHEMBL4295091

CCCCCCCC(CC(Nc1ccccc1)(C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.38
HDAC3 O15379 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL1875535 0.86 KMT2A (0.35) ALDH1A1HTTGAA
SCHEMBL4355210 0.79 GAA (0.42) EPHX1ALDH1A1HTTGAA
SCHEMBL11098360 0.75 HDAC8 (0.53) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL11529304 0.74 HDAC8 (0.60) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8979380 0.73 HDAC8 (0.40) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8868819 0.72 SMN1; SMN2 (0.35) HDAC8HDAC3HDAC1HDAC2HDAC4
SCHEMBL1117722 0.70 HSP90AA1 (0.41) ALDH1A1CNR2PRSS1CTSGCTRB1
SCHEMBL11528868 0.69 HDAC8 (0.52) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL28879072 0.69 NAAA (0.62) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3673851 0.69 CES1 (0.43) CNR2PRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 HDAC8 2250/4885HDAC3 2242/4885HDAC6 3451/4885

“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.