SCHEMBL16201679

SCHEMBL16201679

COC(=O)c1ccc(Cn2c3c(c4sc(C)c(C)c42)CCCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
FABP4 P15090 5/20 0.43
CHKA P35790 1/20 0.42
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC10 Q969S8 1/20 0.41
FABP3 P05413 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
SCARB1 Q8WTV0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 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
SCHEMBL16201682 0.87 HDAC6 (0.56) HDAC6HDAC1HDAC10
SCHEMBL16201685 0.80 HTT (0.52) POLBFABP4FABP3LMNAMAPT
SCHEMBL14903298 0.70 HDAC1 (0.76) POLBCHKAHDAC6HDAC1LMNA
SCHEMBL23174927 0.69 BRD4 (0.49) POLBCHKAHDAC6HDAC1LMNA
SCHEMBL1007656 0.69 RAB9A (0.51) POLBCHKALMNAMAPTRAB9A
SCHEMBL6689896 0.69 FABP4 (0.78) FABP4FABP3
SCHEMBL21410242 0.69 BRD4 (0.67) POLBCHKAHDAC6HDAC1LMNA
SCHEMBL6687922 0.69 FABP4 (0.77) FABP4HDAC6HDAC1HDAC10FABP3
SCHEMBL6686562 0.68 FABP4 (0.76) FABP4FABP3
SCHEMBL20210248 0.68 CHKA (0.77) CHKAHDAC6HDAC1MAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 US disclosed

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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 POLB 1833/4885FABP4 4176/4885CHKA 957/4885

“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.