SCHEMBL6038203

SCHEMBL6038203

O=C(COCc1ccc(F)cc1)NCCCc1ccc(CN(CCO)CCc2nc3ccccc3n2CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6038332 0.81 POLB (0.50) GAALMNAHTTTP53ALDH1A1
SCHEMBL6038000 0.77 NAMPT (0.41) GAALMNAHTTMEN1KMT2A
SCHEMBL5277762 0.76 GAA (0.48) GAALMNAL3MBTL1HTTTP53
SCHEMBL6037892 0.75 NAMPT (0.57) POLB
SCHEMBL6038135 0.75 CCR3 (0.56) MEN1KMT2A
SCHEMBL5278888 0.74 GAA (0.56) GAALMNAHTTTP53MEN1
SCHEMBL5280748 0.74 ALDH1A1 (0.50) GAALMNAHTTTP53MEN1
SCHEMBL6038031 0.73 HTR2A (0.47) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL6037966 0.72 NAMPT (0.52) POLB
SCHEMBL6038104 0.72 NAMPT (0.45) RAB9APOLB

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 GAA 569/4885LMNA 851/4885L3MBTL1 153/4885

“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.