SCHEMBL4922692

SCHEMBL4922692

O=C(C=Cc1ccc(C(CCc2ccc(F)cc2)NC(=O)NC(=O)c2ccccc2)cc1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 9/20 0.48
HDAC3 O15379 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC6 Q9UBN7 7/20 0.48
HDAC4 P56524 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 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
SCHEMBL4933486 0.93 HDAC2 (0.50) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4922683 0.91 HDAC3 (0.49) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4930165 0.91 HDAC2 (0.52) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4923053 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4921901 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4930177 0.89 HDAC8 (0.49) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4931121 0.88 HDAC3 (0.46) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4930697 0.88 HDAC1 (0.52) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4932656 0.88 GAA (0.57) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL4931762 0.87 HDAC1 (0.51) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC2

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 ALDH1A1 1020/4885SMN1; SMN2 2353/4885HDAC1 1/4885

“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.