SCHEMBL1233913

SCHEMBL1233913

CC(=C\c1ccccc1)/C=C(\C)C(=O)NCCCCCC(=O)NO

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.66
HDAC8 Q9BY41 13/20 0.66
HDAC3 O15379 11/20 0.66
HDAC4 P56524 11/20 0.66
HDAC2 Q92769 11/20 0.66
HDAC10 Q969S8 11/20 0.66
HDAC11 Q96DB2 11/20 0.66
HDAC6 Q9UBN7 11/20 0.66
HDAC9 Q9UKV0 11/20 0.66
HDAC5 Q9UQL6 11/20 0.66
HDAC7 Q8WUI4 10/20 0.66
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12672448 0.90 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1233592 0.86 LMNA (0.50) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1233593 0.86 LMNA (0.50) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1232927 0.83 HDAC1 (0.90) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1233492 0.82 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3056372 0.80 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3050423 0.80 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3050427 0.80 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3047631 0.80 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13136810 0.80 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC8 8/4885HDAC3 6/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC8 6/4885HDAC3 3/4885

“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.