SCHEMBL4921863

SCHEMBL4921863

O=C(C=Cc1ccc(CN(Cc2cccnc2)C(=O)NC(=O)c2ccccc2)cc1)NO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.67
HDAC8 Q9BY41 8/20 0.67
HDAC3 O15379 7/20 0.67
HDAC2 Q92769 6/20 0.67
HDAC6 Q9UBN7 6/20 0.67
HDAC4 P56524 5/20 0.67
HDAC7 Q8WUI4 5/20 0.67
HDAC10 Q969S8 5/20 0.67
HDAC11 Q96DB2 5/20 0.67
HDAC9 Q9UKV0 5/20 0.67
HDAC5 Q9UQL6 5/20 0.67
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TBXAS1 P24557 2/20 0.48

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
SCHEMBL4921853 1.00 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4932223 0.93 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4932231 0.93 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4933008 0.92 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4933015 0.92 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4933305 0.88 MEN1 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4933299 0.88 MEN1 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4930109 0.86 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4933474 0.84 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4933463 0.84 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC6

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 8 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 claimed
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP claimed
EP-1685094-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*Bio Pte Ltd (SG) 2006-08-02 EP claimed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 WO claimed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP disclosed
EP-1685094-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*Bio Pte Ltd (SG) 2006-08-02 EP 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 1/4885HDAC8 7/4885HDAC3 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.