SCHEMBL5226783

SCHEMBL5226783

Nc1ccccc1NC(=O)c1cnc(N2CCNCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.59
HDAC2 Q92769 11/20 0.59
HDAC3 O15379 10/20 0.59
KCNH2 Q12809 4/20 0.58
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
MAPK1 P28482 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
SCHEMBL8157053 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC3KCNH2MAPK1
SCHEMBL5225255 0.86 KCNH2 (0.76) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2828860 0.81 HDAC1 (0.74) HDAC1HDAC2HDAC3KCNH2CCNC
SCHEMBL17529213 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3KCNH2MAPK1
SCHEMBL5225051 0.79 HDAC3 (0.77) HDAC1HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL5226156 0.78 HDAC3 (0.76) HDAC1HDAC2HDAC3KCNH2
SCHEMBL5224561 0.78 HDAC2 (0.76) HDAC1HDAC2HDAC3KCNH2
SCHEMBL5228516 0.77 HDAC1 (0.53) HDAC1HDAC2HDAC3
SCHEMBL6339376 0.77 HDAC1 (0.54) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2404792 0.76 HDAC1 (0.48) HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016020307-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-02-11 WO disclosed
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 1/4885HDAC2 4/4885HDAC3 2/4885

“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.