SCHEMBL5410184

SCHEMBL5410184

Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC(CCNC(=O)COCc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
CHRM4 P08173 7/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
SPR P35270 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL5282166 0.84 ACHE (0.53) BCHEACHECHRM4MAPTALDH1A1
SCHEMBL6037910 0.82 CTSS (0.51) ALDH1A1TSHR
SCHEMBL5282667 0.81 BCHE (0.55) BCHEACHECHRM4MEN1KMT2A
SCHEMBL5281968 0.78 SPR (0.54) BCHEACHECHRM4SPRMEN1
SCHEMBL5291871 0.77 FAAH (0.51) CHRM4ALOX15ALDH1A1MEN1KMT2A
SCHEMBL5283411 0.77 HDAC1 (0.51) MAPTTDP1HDAC3HDAC1HDAC2
SCHEMBL5278655 0.76 BCHE (0.59) BCHEACHE
SCHEMBL5289480 0.76 BCHE (0.56) BCHEACHECHRM4KMT2A
SCHEMBL6038046 0.76 ACHE (0.48) BCHEACHEMAPTSPRALDH1A1
SCHEMBL6037985 0.76 BCHE (0.55) BCHEACHEMAPTSPRALDH1A1

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 3161/4885CHRM4 3413/4885

“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.