SCHEMBL16201683

SCHEMBL16201683

O=C(NO)c1ccc(Sc2c3n(c4ccccc24)CCCC3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.44
HDAC1 Q13547 14/20 0.44
HDAC10 Q969S8 8/20 0.40
HDAC8 Q9BY41 8/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC3 O15379 4/20 0.39
NCOR2 Q9Y618 3/20 0.39
HDAC11 Q96DB2 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL16201678 0.86 PABPC1 (0.46)
SCHEMBL14994233 0.82 HDAC1 (0.41) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL9657474 0.76 KDM4E (0.46)
SCHEMBL14994242 0.75 HDAC6 (0.49) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL14994865 0.74 HDAC6 (0.50) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16201684 0.69 CDK5 (0.45) HDAC6
SCHEMBL14994765 0.69 PABPC1 (0.49)
SCHEMBL14994618 0.69 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC11
SCHEMBL14994323 0.69 HDAC6 (0.42) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL14994775 0.68 HDAC6 (0.40) HDAC6HDAC1HDAC10HDAC8HDAC2

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.