SCHEMBL5324907

SCHEMBL5324907

Cn1cc(CN2CCC(CCNC(=O)COCc3ccc(F)cc3)CC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.63
ACHE P22303 3/20 0.63
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CHRM4 P08173 3/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR4 Q13639 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5281631 0.83 CHRM4 (0.67) BCHEACHECHRM4
SCHEMBL3155847 0.78 ACHE (1.00) BCHEACHECHRM4LMNA
SCHEMBL5278655 0.78 BCHE (0.59) BCHEACHEHDAC8HDAC6
SCHEMBL5279913 0.76 BCHE (0.60) BCHEACHE
SCHEMBL6037898 0.75 TP53 (0.58) MEN1KMT2AHDAC8HDAC6LMNA
SCHEMBL5289399 0.74 LMNA (0.47) MEN1KMT2ACHRM4LMNAALDH1A1
SCHEMBL5291871 0.73 FAAH (0.51) MEN1KMT2AHDAC8HDAC6CHRM4
SCHEMBL5289480 0.73 BCHE (0.56) BCHEACHEKMT2ACHRM4LMNA
SCHEMBL5283344 0.73 HDAC3 (0.53) MEN1KMT2AHDAC8HDAC6CHRM4
SCHEMBL5279163 0.73 BCHE (0.50) BCHEACHEMEN1KMT2AALDH1A1

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 BCHE 1641/4885ACHE 3161/4885MEN1 2348/4885

“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.