SCHEMBL6038130

SCHEMBL6038130

COc1ccc2[nH]cc(CCNCc3ccc(CCCNC(=O)COCc4ccc(F)cc4)cc3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.69
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
MAPT P10636 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
SPR P35270 1/20 0.53

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
SCHEMBL6038140 0.94 HTR2A (0.60) HTR2ABCHEACHEMAPTHDAC3
SCHEMBL6038156 0.92 SPR (0.58) HTR2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL5285108 0.91 HTR2A (0.55) HTR2ABCHEACHEMAPTHDAC3
SCHEMBL5285115 0.90 HTR2A (0.54) HTR2ABCHEACHEMAPTHDAC3
SCHEMBL6038221 0.90 HDAC3 (0.60) HTR2AMAPTHDAC3HDAC4HDAC1
SCHEMBL6038097 0.87 KMT2A (0.54) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5280299 0.86 HTR2A (0.49) HTR2ABCHEACHEMAPTHDAC3
SCHEMBL6038106 0.86 SPR (0.54) HTR2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6038113 0.85 ACHE (0.51) HTR2ABCHEACHEMAPTMTNR1A
SCHEMBL6038137 0.82 ACHE (0.48) HTR2ABCHEACHEMAPTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed

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 HTR2A 2987/4885BCHE 1641/4885ACHE 3161/4885

“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.