SCHEMBL6038165

SCHEMBL6038165

O=C(COCc1ccc(F)cc1)NCCCOc1cccc(CN(CCO)CCc2c[nH]c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46
NAMPT P43490 2/20 0.45
ACHE P22303 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.41
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40

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
SCHEMBL6038142 0.90 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6037892 0.88 NAMPT (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6038087 0.86 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6038067 0.85 HTR1D (0.50) NAMPTHTR1AHTR1DHTR1BTRPM8
SCHEMBL6038096 0.84 NAMPT (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5325458 0.83 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6037932 0.83 KMT2A (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6037966 0.83 NAMPT (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5278523 0.82 MAPT (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6038340 0.82 SPR (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2

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 HDAC1 1/4885HDAC3 2/4885HDAC4 7/4885

“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.