SCHEMBL6037985

SCHEMBL6037985

COc1ccc2[nH]cc(CCNC(=O)N3CCC(CCNC(=O)COCc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.55
ACHE P22303 5/20 0.55
MAPT P10636 1/20 0.52
MTNR1A P48039 4/20 0.51
MTNR1B P49286 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SPR P35270 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 1/20 0.49
HTR2A P28223 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
SCHEMBL6038046 0.94 ACHE (0.48) BCHEACHEMAPTMTNR1AMTNR1B
SCHEMBL5281968 0.93 SPR (0.54) BCHEACHEMTNR1AMTNR1BSPR
SCHEMBL5287676 0.91 ACHE (0.57) BCHEACHEMAPTMTNR1AMTNR1B
SCHEMBL5282166 0.88 ACHE (0.53) BCHEACHEMAPTALDH1A1MEN1
SCHEMBL5280227 0.85 ACHE (0.49) BCHEACHEMTNR1AMTNR1B
SCHEMBL5282667 0.84 BCHE (0.55) BCHEACHEMEN1KMT2A
SCHEMBL5278902 0.79 BCHE (0.47) BCHEACHEMAPTALDH1A1MEN1
SCHEMBL5278655 0.79 BCHE (0.59) BCHEACHE
SCHEMBL6038130 0.78 HTR2A (0.69) BCHEACHEMAPTMTNR1AMTNR1B
SCHEMBL5291489 0.78 BCHE (0.52) BCHEACHEMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 3161/4885MAPT 3848/4885

“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.