SCHEMBL6038188

SCHEMBL6038188

O=C(COCc1ccc(F)cc1)NCCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 1/20 0.50
NAMPT P43490 1/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTAFR P25105 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5286235 0.82 HDAC1 (0.53) GAAKDM4ENAMPTHDAC2HDAC8
SCHEMBL5284053 0.81 NAMPT (0.49) GAAKDM4ENAMPTLMNAPOLB
SCHEMBL6037974 0.80 LMNA (0.59) GAAKDM4EEPHX2LMNAPOLB
SCHEMBL13915578 0.78 SPR (0.60) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL5281044 0.77 GRIN2B (0.53)
SCHEMBL6037885 0.77 LMNA (0.55) GAAKDM4EEPHX2LMNAPOLB
SCHEMBL5281557 0.76 LMNA (0.50) GAAEPHX2LMNAKMT2AALDH1A1
SCHEMBL16610103 0.76 CYP3A4 (0.61) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL17117361 0.76 ESR1 (0.56) ALDH1A1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL5280853 0.76 LMNA (0.68) GAAKDM4EEPHX2LMNAPOLB

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 569/4885KDM4E 67/4885EPHX2 2053/4885

“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.