SCHEMBL6747476

SCHEMBL6747476

COC(=O)CCCn1cc(-c2ccc(OC)cc2)nn1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.71
HDAC4 P56524 15/20 0.71
HDAC1 Q13547 15/20 0.71
HDAC7 Q8WUI4 15/20 0.71
HDAC2 Q92769 15/20 0.71
HDAC10 Q969S8 15/20 0.71
HDAC11 Q96DB2 15/20 0.71
HDAC8 Q9BY41 15/20 0.71
HDAC6 Q9UBN7 15/20 0.71
HDAC9 Q9UKV0 15/20 0.71
HDAC5 Q9UQL6 15/20 0.71
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SNCA P37840 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL6326477 0.92 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27095045 0.83 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6326274 0.83 NR1H4 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17037191 0.81 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17040251 0.80 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5051923 0.80 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4216458 0.79 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15076038 0.78 MEN1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17583499 0.77 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16220754 0.77 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 HDAC3 16/4885HDAC4 83/4885HDAC1 19/4885

“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.