SCHEMBL6038118

SCHEMBL6038118

CC(C)(C)N(Cc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 4/20 0.39
LMNA P02545 3/20 0.38
MMP13 P45452 4/20 0.36
MMP1 P03956 3/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
DDR2 Q16832 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5282822 0.84 HDAC1 (0.46) HDAC1HDAC6TP53LMNARAB9A
SCHEMBL5277732 0.84 RAB9A (0.50) HDAC1HDAC6TP53LMNADDR2
SCHEMBL5290863 0.83 HDAC1 (0.44) HDAC1HDAC6TP53LMNAGAA
SCHEMBL6038367 0.83 TP53 (0.41) HDAC1HDAC6TP53LMNADDR2
SCHEMBL5290880 0.82 TP53 (0.41) HDAC1HDAC6TP53LMNAGAA
SCHEMBL6038003 0.80 TP53 (0.51) HDAC1HDAC6TP53LMNAPOLB
SCHEMBL5280650 0.79 RAB9A (0.45) HDAC1HDAC6TP53LMNARAB9A
SCHEMBL5286061 0.79 ALDH1A1 (0.55) TP53LMNAGAAPOLB
SCHEMBL6038116 0.78 TP53 (0.39) HDAC1HDAC6TP53LMNADDR2
SCHEMBL5282375 0.78 AOC3 (0.47) TP53LMNADDR2MAPK14RAB9A

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 1/4885HDAC6 17/4885TP53 2551/4885

“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.