SCHEMBL5225836

SCHEMBL5225836

CN1CCN(c2ncc(C(=O)Nc3ccccc3[N+](=O)[O-])s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.60
KCNH2 Q12809 1/20 0.55
HTT P42858 1/20 0.53
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC4 P56524 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
SNCA P37840 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5224309 0.85 MET (0.47) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL5226704 0.83 HDAC2 (0.76) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL6203588 0.82 HDAC2 (0.43) HDAC2HDAC3HDAC1HDAC4HDAC7
Acetic Acid SCHEMBL6206022 0.80 HDAC2 (0.69) HDAC2KCNH2HDAC3HDAC1HDAC4
Acetic Acid SCHEMBL6206020 0.79 HDAC2 (0.74) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL4161740 0.75 HDAC2 (0.74) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL20181525 0.75 HDAC2 (1.00) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL4733917 0.73 HDAC2 (0.56) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL27620288 0.71 HDAC2 (0.63) HDAC2KCNH2HDAC3HDAC1HDAC4
SCHEMBL20181507 0.71 KCNH2 (1.00) HDAC2KCNH2HDAC3HDAC1

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 HDAC2 4/4885KCNH2 2503/4885HTT 461/4885

“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.