SCHEMBL8246012

SCHEMBL8246012

O=C(CCCCCC(=O)NCCCNCCCCNCCC(c1ccccc1)c1ccccc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC8 Q9BY41 17/20 1.00
HDAC3 O15379 16/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC6 Q9UBN7 15/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC4 P56524 13/20 1.00
HDAC7 Q8WUI4 13/20 1.00
HDAC9 Q9UKV0 13/20 1.00
HDAC5 Q9UQL6 13/20 1.00
KDM1A O60341 2/20 0.58
MAOB P27338 2/20 0.58
NCOR2 Q9Y618 3/20 0.56

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
SCHEMBL8250888 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13784491 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13784487 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13784490 0.99 HDAC3 (0.97) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13784488 0.99 HDAC3 (0.97) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13751929 0.89 HDAC1 (0.81) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8246005 0.80 HDAC6 (0.66) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL12913969 0.79 KDM1A (0.73) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8254153 0.79 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL10045196 0.78 KCNH2 (0.70) HDAC1HDAC8HDAC3HDAC2HDAC6

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-20090182019-A1 Histone deacetylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2009-07-16 US disclosed
WO-2006113606-A2 HISTONE DEACETYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2006-10-26 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-20090182019-A1 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC8 8/4885HDAC3 3/4885

“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.