SCHEMBL3918320

SCHEMBL3918320

O=C(/C=C/c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1)NO

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.66
HDAC6 Q9UBN7 14/20 0.66
HDAC2 Q92769 11/20 0.66
HDAC3 O15379 11/20 0.66
HDAC8 Q9BY41 11/20 0.66
HDAC4 P56524 8/20 0.66
HDAC7 Q8WUI4 8/20 0.66
HDAC10 Q969S8 8/20 0.66
HDAC11 Q96DB2 8/20 0.66
HDAC9 Q9UKV0 8/20 0.66
HDAC5 Q9UQL6 8/20 0.66
NAMPT P43490 1/20 0.53
HPGDS O60760 1/20 0.51

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
SCHEMBL3918321 1.00 HDAC1 (0.66) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3917184 0.85 HDAC1 (0.58) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3917185 0.85 HDAC1 (0.58) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL4569181 0.84 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3919407 0.83 HDAC1 (0.70) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3919405 0.83 HDAC1 (0.70) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL24392693 0.82 HPGDS (0.70) HDAC1HDAC2HDAC3NAMPTHPGDS
SCHEMBL19631297 0.82 HDAC6 (0.69) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3581806 0.81 RAB9A (0.71) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3581803 0.81 RAB9A (0.71) HDAC1HDAC6HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495022-B2 α,β-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2009-02-24 US disclosed
US-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2005-06-09 US disclosed
WO-2003087066-A1 α,β-UNSATURATED HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS SK CHEMICALS, CO., LTD. (KR) 2003-10-23 WO 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-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC6 10/4885HDAC2 7/4885

“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.