SCHEMBL5226083

SCHEMBL5226083

Nc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.67
HDAC3 O15379 9/20 0.67
HDAC4 P56524 9/20 0.67
HDAC7 Q8WUI4 9/20 0.67
HDAC2 Q92769 9/20 0.67
HDAC10 Q969S8 9/20 0.67
HDAC11 Q96DB2 9/20 0.67
HDAC8 Q9BY41 9/20 0.67
HDAC6 Q9UBN7 9/20 0.67
HDAC9 Q9UKV0 9/20 0.67
HDAC5 Q9UQL6 9/20 0.67
KDM1A O60341 1/20 0.50

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
SCHEMBL5229892 0.82 HDAC3 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5224407 0.78 HDAC2 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5226372 0.75 HDAC2 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20304929 0.71 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6383279 0.71 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11200230 0.70 ACHE (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20305032 0.70 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3576103 0.70 POLB (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8288745 0.70 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28642043 0.70 HDAC1 (0.82) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC3 2/4885HDAC4 5/4885

“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.