SCHEMBL6038137

SCHEMBL6038137

COc1ccc2[nH]cc(N(C)Cc3ccc(CCCNC(=O)COCc4ccc(F)cc4)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
BCHE P06276 3/20 0.48
MAPT P10636 2/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SPR P35270 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 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
SCHEMBL6038103 0.93 SPR (0.48) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038078 0.88 MEN1 (0.42) ACHEMAPTMEN1KMT2ASPR
SCHEMBL6038113 0.83 ACHE (0.51) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038140 0.83 HTR2A (0.60) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038130 0.82 HTR2A (0.69) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038027 0.75 NAMPT (0.56) ACHEMAPTKMT2A
SCHEMBL6038069 0.75 SPR (0.49) ACHEBCHEMTNR1AMTNR1BMEN1
SCHEMBL6038340 0.74 SPR (0.51) ACHEBCHEMTNR1AMTNR1BHTR2A
SCHEMBL6038067 0.74 HTR1D (0.50) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6038106 0.74 SPR (0.54) MTNR1AMTNR1BHTR2ASPR

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 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 ACHE 3161/4885BCHE 1641/4885MAPT 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.