SCHEMBL16201682

SCHEMBL16201682

Cc1sc2c3c(n(Cc4ccc(C(=O)NO)cc4)c2c1C)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.56
HDAC1 Q13547 16/20 0.56
HDAC10 Q969S8 6/20 0.56
HDAC8 Q9BY41 4/20 0.48
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
NCOR2 Q9Y618 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL16201679 0.87 POLB (0.45) HDAC6HDAC1HDAC10
SCHEMBL16201685 0.82 HTT (0.52)
SCHEMBL12938861 0.72 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL1367032 0.71 HDAC6 (0.98) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL14895981 0.70 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL16195446 0.69 HDAC6 (0.66) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL16195398 0.69 HDAC6 (0.68) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL6681853 0.67 FABP4 (0.78) HDAC6HDAC1HDAC10
SCHEMBL12472215 0.66 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL16195775 0.66 HDAC6 (0.68) HDAC6HDAC1HDAC10HDAC8HDAC3

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 HDAC6 1/4885HDAC1 2/4885HDAC10 11/4885

“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.