SCHEMBL1233368

SCHEMBL1233368

O=C(CCCCCNC(=O)c1ccoc1)NO

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.65
HDAC3 O15379 15/20 0.65
HDAC6 Q9UBN7 15/20 0.65
HDAC2 Q92769 14/20 0.65
HDAC4 P56524 12/20 0.65
HDAC7 Q8WUI4 12/20 0.65
HDAC10 Q969S8 12/20 0.65
HDAC11 Q96DB2 12/20 0.65
HDAC8 Q9BY41 12/20 0.65
HDAC9 Q9UKV0 12/20 0.65
HDAC5 Q9UQL6 12/20 0.65
LTA4H P09960 1/20 0.58

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
SCHEMBL3383126 0.82 HDAC1 (0.61) HDAC1HDAC8
SCHEMBL1231519 0.82 HDAC3 (0.57) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL1938126 0.79 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL1232912 0.79 HDAC6 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL573254 0.79 HDAC6 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL1232986 0.78 HDAC1 (0.79) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL16357638 0.77 HDAC3 (0.57) HDAC1HDAC3
SCHEMBL1232629 0.77 HDAC6 (0.97) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL10244781 0.77 SMN1; SMN2 (0.58) HDAC1HDAC3
SCHEMBL13039735 0.77 HDAC6 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4

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 10 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

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 1/4885HDAC3 6/4885HDAC6 11/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC6 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.