SCHEMBL5225324

SCHEMBL5225324

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC1 Q13547 2/20 0.57
BCHE P06276 6/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 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
SCHEMBL5224342 0.89 HDAC1 (0.70) HDAC3HDAC2HDAC1BCHETMEM97
SCHEMBL5226984 0.85 HDAC3 (0.54) HDAC3HDAC2HDAC1BCHETMEM97
SCHEMBL6346948 0.82 HDAC3 (0.49) HDAC3HDAC2HDAC1BCHETMEM97
SCHEMBL5224592 0.75 HDAC1 (0.72) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL9942641 0.75 NPC1 (0.63) SIGMAR1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL5224146 0.74 HDAC3 (0.59) HDAC3HDAC2HDAC1TMEM97SIGMAR1
SCHEMBL5224627 0.73 HDAC1 (0.56) HDAC3HDAC2HDAC1BCHEHDAC4
SCHEMBL27601739 0.72 SMN1; SMN2 (0.47) HDAC3HDAC2HDAC1TMEM97SIGMAR1
SCHEMBL2628920 0.72 NPC1 (0.62) SIGMAR1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL22119716 0.71 HDAC3 (0.56) HDAC3HDAC2HDAC1TMEM97SIGMAR1

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 HDAC3 2/4885HDAC2 4/4885HDAC1 1/4885

“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.