SCHEMBL6038113

SCHEMBL6038113

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
BCHE P06276 3/20 0.51
MAPT P10636 1/20 0.49
MTNR1A P48039 5/20 0.48
MTNR1B P49286 4/20 0.48
HTR2A P28223 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SPR P35270 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
PTGS2 P35354 1/20 0.45
HTR1A P08908 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A1 P04798 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6038340 0.92 SPR (0.51) ACHEBCHEMTNR1AMTNR1BHTR2A
SCHEMBL6038067 0.91 HTR1D (0.50) MTNR1AMTNR1BMEN1KMT2AHTR1A
SCHEMBL6037892 0.88 NAMPT (0.57) CYP3A4NAMPT
SCHEMBL6038069 0.87 SPR (0.49) ACHEBCHEMTNR1AMTNR1BMEN1
SCHEMBL6038130 0.85 HTR2A (0.69) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038096 0.84 NAMPT (0.52) CYP3A4NAMPT
SCHEMBL6038140 0.84 HTR2A (0.60) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038137 0.83 ACHE (0.48) ACHEBCHEMAPTMTNR1AMTNR1B
SCHEMBL6038087 0.83 HDAC1 (0.54) ACHEBCHEMAPTALDH1A1CYP3A4
SCHEMBL6037966 0.82 NAMPT (0.52) CYP3A4NAMPT

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 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.