SCHEMBL4932053

SCHEMBL4932053

O=C(/C=C/c1ccc(CN(CC2CCCO2)C(=O)NC(=O)c2ccccc2)cc1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ OXTR P30559 6/20 0.44
▸ AVPR1A P37288 5/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL4932060 1.00 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4925021 0.85 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4925029 0.85 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4933015 0.82 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4933008 0.82 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8290953 0.78 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4933474 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4933463 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4929915 0.77 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4930692 0.77 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 — — US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 — — US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 — — US disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 — — 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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 HDAC1 1/4885HDAC6 11/4885HDAC3 2/4885

“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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