SCHEMBL4934359

SCHEMBL4934359

O=C(NO)c1ccc(CN(CCCc2ccccc2)C(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.69
HDAC6 Q9UBN7 14/20 0.67
HDAC8 Q9BY41 7/20 0.65
HDAC3 O15379 5/20 0.65
HDAC7 Q8WUI4 4/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC2 Q92769 4/20 0.61
HDAC4 P56524 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
HDAC11 Q96DB2 2/20 0.61
NCOR2 Q9Y618 1/20 0.55

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
SCHEMBL4931245 0.90 HDAC1 (0.71) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4930132 0.90 HDAC1 (0.76) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4930692 0.85 HDAC1 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4930691 0.85 HDAC1 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4931750 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4931754 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4925082 0.82 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4933011 0.81 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4922587 0.81 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4930109 0.81 HDAC1 (0.62) HDAC1HDAC6HDAC8HDAC3HDAC7

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 11 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
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
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
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 11/4885HDAC8 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.