SCHEMBL5224342

SCHEMBL5224342

Nc1ccccc1NC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.70
HDAC3 O15379 10/20 0.70
HDAC2 Q92769 8/20 0.70
HDAC8 Q9BY41 5/20 0.64
HDAC6 Q9UBN7 4/20 0.64
HDAC4 P56524 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
NCOR1 O75376 1/20 0.57
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
BCHE P06276 2/20 0.50
KCNH2 Q12809 2/20 0.49

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
SCHEMBL5225324 0.89 HDAC3 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5224592 0.86 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5226984 0.85 HDAC3 (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5224146 0.84 HDAC3 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5225051 0.82 HDAC3 (0.77) HDAC1HDAC3HDAC2KCNH2
Hydrochloric Acid SCHEMBL5226156 0.81 HDAC3 (0.76) HDAC1HDAC3HDAC2KCNH2
SCHEMBL6346948 0.81 HDAC3 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5226372 0.79 HDAC2 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5229892 0.75 HDAC3 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1639111 0.75 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6

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 2/4885HDAC2 4/4885

“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.