SCHEMBL5225255

SCHEMBL5225255

Nc1ccccc1NC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.76
HDAC1 Q13547 14/20 0.74
HDAC2 Q92769 7/20 0.72
HDAC3 O15379 6/20 0.72

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
SCHEMBL1640302 0.89 HDAC1 (0.89) KCNH2HDAC1HDAC2HDAC3
SCHEMBL8161162 0.89 HDAC1 (0.70) KCNH2HDAC1HDAC2HDAC3
SCHEMBL6205553 0.88 HDAC1 (0.64) KCNH2HDAC1HDAC2HDAC3
SCHEMBL20181480 0.86 KCNH2 (1.00) KCNH2HDAC1HDAC2HDAC3
SCHEMBL5224545 0.86 HDAC1 (0.70) KCNH2HDAC1HDAC2HDAC3
SCHEMBL1639098 0.86 HDAC1 (0.87) KCNH2HDAC1HDAC2HDAC3
SCHEMBL1640715 0.86 HDAC1 (0.77) KCNH2HDAC1HDAC2HDAC3
SCHEMBL5226783 0.86 HDAC1 (0.59) KCNH2HDAC1HDAC2HDAC3
SCHEMBL1640917 0.85 HDAC1 (0.82) KCNH2HDAC1HDAC2HDAC3
SCHEMBL1640681 0.85 HDAC1 (1.00) KCNH2HDAC1HDAC2HDAC3

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
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

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 KCNH2 2503/4885HDAC1 1/4885HDAC2 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.