SCHEMBL1233341

SCHEMBL1233341

COC(=O)CCCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.71
HDAC1 Q13547 7/20 0.68
HDAC3 O15379 6/20 0.68
HDAC4 P56524 5/20 0.68
HDAC7 Q8WUI4 5/20 0.68
HDAC2 Q92769 5/20 0.68
HDAC10 Q969S8 5/20 0.68
HDAC11 Q96DB2 5/20 0.68
HDAC8 Q9BY41 5/20 0.68
HDAC6 Q9UBN7 5/20 0.68
HDAC9 Q9UKV0 5/20 0.68
HDAC5 Q9UQL6 5/20 0.68
PPARG P37231 1/20 0.57
OPRM1 P35372 3/20 0.56
TMEM97 Q5BJF2 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 4/20 0.54
ADRA2A P08913 4/20 0.54
DRD2 P14416 4/20 0.54
DRD1 P21728 2/20 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
SCHEMBL1231643 0.99 HDAC1 (0.70) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL1232687 0.99 HDAC1 (0.70) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL1888791 0.99 HDAC1 (0.70) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL8248980 0.85 HDAC1 (0.74) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL1233599 0.83 HDAC1 (0.76) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL6278563 0.83 NR1H4 (0.57) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL7230782 0.83 HDAC1 (0.65) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL1233870 0.82 HDAC1 (0.97) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12422572 0.82 HDAC1 (0.74) NR1H4HDAC1HDAC3HDAC4HDAC7
SCHEMBL11220445 0.82 HDAC1 (0.74) NR1H4HDAC1HDAC3HDAC4HDAC7

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-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

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 NR1H4 630/4885HDAC1 1/4885HDAC3 6/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 NR1H4 90/4885HDAC1 1/4885HDAC3 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.