SCHEMBL1233138

SCHEMBL1233138

O=C(C=C(c1ccccc1)c1ccccc1)NCCCCCC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 17/20 1.00
HDAC1 Q13547 16/20 1.00
HDAC6 Q9UBN7 13/20 1.00
HDAC3 O15379 11/20 1.00
HDAC4 P56524 11/20 1.00
HDAC2 Q92769 11/20 1.00
HDAC10 Q969S8 11/20 1.00
HDAC11 Q96DB2 11/20 1.00
HDAC9 Q9UKV0 11/20 1.00
HDAC5 Q9UQL6 11/20 1.00
HDAC7 Q8WUI4 10/20 1.00

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
SCHEMBL1231946 0.86 HDAC8 (0.76) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1232963 0.84 HDAC8 (0.73) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1233244 0.83 HDAC8 (0.71) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1231697 0.82 HDAC3 (0.70) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL14288511 0.81 HDAC3 (0.68) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL573254 0.81 HDAC6 (1.00) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1232912 0.81 HDAC6 (1.00) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1232629 0.79 HDAC6 (0.97) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1232559 0.79 HDAC3 (1.00) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1232560 0.79 HDAC3 (1.00) HDAC8HDAC1HDAC6HDAC3HDAC4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 US disclosed
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed
EP-1598067-B1 Carbamic acid compounds comprising an amide linkage for the treatment of malaria TOPOTARGET UK LTD (GB) 2009-05-06 EP disclosed
EP-1598067-B1 Carbamic acid compounds comprising an amide linkage for the treatment of malaria TOPOTARGET UK LTD (GB) 2009-05-06 EP disclosed
EP-1335898-B1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2005-11-23 EP disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-05-13 US disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 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 (3 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-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 HDAC8 6/4885HDAC1 1/4885HDAC6 11/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC8 8/4885HDAC1 1/4885HDAC6 11/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC8 6/4885HDAC1 1/4885HDAC6 11/4885

“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.