SCHEMBL4922668

SCHEMBL4922668

O=C(/C=C/c1ccc(CN(CCc2ccc(Br)cc2)C(=O)NC(=O)c2ccccc2)cc1)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.52
HDAC6 Q9UBN7 13/20 0.52
HDAC3 O15379 12/20 0.52
HDAC8 Q9BY41 12/20 0.52
HDAC2 Q92769 10/20 0.52
HDAC7 Q8WUI4 10/20 0.52
HDAC10 Q969S8 10/20 0.52
HDAC4 P56524 9/20 0.52
HDAC11 Q96DB2 9/20 0.52
HDAC9 Q9UKV0 9/20 0.52
HDAC5 Q9UQL6 9/20 0.52
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL4922675 1.00 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4933463 0.95 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4933474 0.95 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL8291642 0.92 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4930160 0.92 HDAC2 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4930156 0.92 HDAC2 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4922686 0.91 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4922681 0.91 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4930171 0.90 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL4931099 0.90 HDAC1 (0.57) 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 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 11/4885HDAC3 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.