SCHEMBL4925003

SCHEMBL4925003

O=C(NO)c1ccc(CN2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.75
▸ HDAC4 P56524 5/20 0.75
▸ KCNH2 Q12809 2/20 0.75
▸ ALDH1A1 P00352 1/20 0.63
▸ HDAC6 Q9UBN7 9/20 0.62
▸ HDAC8 Q9BY41 3/20 0.62
▸ HDAC3 O15379 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC9 Q9UKV0 2/20 0.59
▸ HDAC5 Q9UQL6 2/20 0.59
▸ KDM1A O60341 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ FAAH O00519 3/20 0.55
▸ DRD4 P21917 1/20 0.54

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
SCHEMBL4932374 0.85 HDAC1 (0.62) HDAC1HDAC4KCNH2ALDH1A1HDAC6
SCHEMBL4932367 0.85 HDAC1 (0.62) HDAC1HDAC4KCNH2ALDH1A1HDAC6
SCHEMBL29196444 0.82 HDAC1 (0.84) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL28742702 0.80 HDAC1 (0.81) HDAC1HDAC4KCNH2ALDH1A1HDAC6
SCHEMBL2195779 0.79 MEN1 (0.69) HDAC1HDAC4KCNH2ALDH1A1GAA
SCHEMBL12341280 0.77 HDAC1 (0.81) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL12472215 0.77 HDAC6 (1.00) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL445115 0.77 HDAC1 (0.62) HDAC1HDAC4KCNH2ALDH1A1HDAC6
SCHEMBL26159154 0.77 HDAC1 (1.00) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL30518143 0.76 GRIN2B (0.69) HDAC1HDAC4KCNH2ALDH1A1HDAC6

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 1/4885HDAC4 3/4885KCNH2 1196/4885

“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.

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