SCHEMBL5281968

SCHEMBL5281968

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.54
NOTUM Q6P988 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR1A P08908 2/20 0.45
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CHRM4 P08173 1/20 0.43
SNCA P37840 2/20 0.42

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
SCHEMBL6037985 0.93 BCHE (0.55) SPRMTNR1AMTNR1BBCHEACHE
SCHEMBL5282166 0.92 ACHE (0.53) HTR1ABCHEACHEMEN1KMT2A
SCHEMBL6038046 0.88 ACHE (0.48) SPRMTNR1AMTNR1BBCHEACHE
SCHEMBL5282667 0.88 BCHE (0.55) BCHEACHEMEN1KMT2ASIRT1
SCHEMBL5287676 0.83 ACHE (0.57) MTNR1AMTNR1BHTR1ABCHEACHE
SCHEMBL5278902 0.82 BCHE (0.47) HTR1ABCHEACHEMEN1KMT2A
SCHEMBL5278655 0.82 BCHE (0.59) BCHEACHE
SCHEMBL5291489 0.81 BCHE (0.52) BCHEACHEMEN1KMT2ASIRT1
SCHEMBL5289480 0.81 BCHE (0.56) BCHEACHEKMT2ACHRM4
SCHEMBL6038173 0.80 LMNA (0.45) MEN1KMT2ACHRM4

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 SPR 835/4885NOTUM 2788/4885MTNR1A 2087/4885

“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.