SCHEMBL1231697

SCHEMBL1231697

COC(=O)CCCCCNC(=O)C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.70
HDAC4 P56524 6/20 0.70
HDAC1 Q13547 6/20 0.70
HDAC7 Q8WUI4 6/20 0.70
HDAC2 Q92769 6/20 0.70
HDAC10 Q969S8 6/20 0.70
HDAC11 Q96DB2 6/20 0.70
HDAC8 Q9BY41 6/20 0.70
HDAC6 Q9UBN7 6/20 0.70
HDAC9 Q9UKV0 6/20 0.70
HDAC5 Q9UQL6 6/20 0.70
LMNA P02545 1/20 0.56
PTAFR P25105 1/20 0.53
TBXAS1 P24557 1/20 0.50
AKT1 P31749 1/20 0.45
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ZDHHC2 Q9UIJ5 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
SCHEMBL1233467 0.88 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1233469 0.88 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13786394 0.88 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1233470 0.88 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1231485 0.85 PTAFR (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1231486 0.85 PTAFR (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14288511 0.83 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1232790 0.83 TBXAS1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1233138 0.82 HDAC8 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12672001 0.81 NAAA (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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-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-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
EP-1335898-B1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (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 HDAC3 3/4885HDAC4 5/4885HDAC1 1/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC3 6/4885HDAC4 9/4885HDAC1 1/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC4 7/4885HDAC1 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.