SCHEMBL4928708

SCHEMBL4928708

COC(=O)C=Cc1ccc(CN(CCc2ccccc2)C(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.52
HDAC6 Q9UBN7 8/20 0.52
NR1H4 Q96RI1 3/20 0.48
HDAC8 Q9BY41 3/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
SNCA P37840 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL4928703 1.00 HDAC1 (0.52) HDAC1HDAC6NR1H4HDAC8LPAR1
SCHEMBL4928397 0.89 HDAC1 (0.53) HDAC1HDAC6NR1H4HDAC8HDAC3
SCHEMBL4928404 0.89 HDAC1 (0.53) HDAC1HDAC6NR1H4HDAC8HDAC3
SCHEMBL4932400 0.88 HDAC1 (0.50) HDAC1HDAC6NR1H4HDAC8HDAC3
SCHEMBL4932407 0.88 HDAC1 (0.50) HDAC1HDAC6NR1H4HDAC8HDAC3
SCHEMBL4933463 0.87 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4933474 0.87 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL4932649 0.85 ALDH1A1 (0.53) HDAC1HDAC6HDAC8LPAR1LPAR5
SCHEMBL4932644 0.85 ALDH1A1 (0.53) HDAC1HDAC6HDAC8LPAR1LPAR5
SCHEMBL4933299 0.85 MEN1 (0.56) HDAC1HDAC6NR1H4HDAC8HDAC3

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
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 1/4885HDAC6 11/4885NR1H4 1530/4885

“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.