SCHEMBL3917217

SCHEMBL3917217

O=C(C=Cc1ccc(CNC(=O)c2ccccn2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 1.00
▸ HDAC6 Q9UBN7 11/20 1.00
▸ HDAC3 O15379 8/20 1.00
▸ HDAC8 Q9BY41 8/20 1.00
▸ HDAC2 Q92769 7/20 1.00
▸ HDAC4 P56524 6/20 1.00
▸ HDAC7 Q8WUI4 6/20 1.00
▸ HDAC10 Q969S8 6/20 1.00
▸ HDAC11 Q96DB2 6/20 1.00
▸ HDAC9 Q9UKV0 6/20 1.00
▸ HDAC5 Q9UQL6 6/20 1.00
▸ KMT2A Q03164 1/20 0.57
▸ HTT P42858 1/20 0.54
▸ KCNH2 Q12809 1/20 0.52
▸ MMP1 P03956 2/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 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
SCHEMBL3917213 1.00 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL31281856 0.84 HDAC1 (0.72) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4066582 0.83 HDAC1 (0.70) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL6320101 0.82 HDAC1 (0.70) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL6320105 0.82 HDAC1 (0.70) HDAC1HDAC6HDAC3HDAC8HDAC2
Formic Acid SCHEMBL31281060 0.81 HDAC1 (0.68) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL30598713 0.80 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1320225 0.80 KDM4E (0.74) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1320227 0.80 KDM4E (0.74) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3919521 0.80 HDAC1 (0.72) HDAC1HDAC6HDAC3HDAC8HDAC2

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 10/4885HDAC3 8/4885

“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.

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