SCHEMBL1234076

SCHEMBL1234076

O=C(CCCCCNC(=O)Cc1c[nH]c2ccccc12)NO

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.69
HDAC2 Q92769 4/20 0.69
HDAC6 Q9UBN7 3/20 0.69
HDAC3 O15379 2/20 0.69
HDAC4 P56524 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC9 Q9UKV0 2/20 0.69
HDAC5 Q9UQL6 2/20 0.69
MTNR1A P48039 2/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
LMNA P02545 1/20 0.56

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
SCHEMBL7974076 0.87 LMNA (0.61) MTNR1AMEN1KMT2ALMNA
Hydroxyamine SCHEMBL7159763 0.87 MTNR1A (0.57) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL12672064 0.86 MEN1 (0.81) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL2808670 0.86 MEN1 (0.81) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1231511 0.86 MTNR1A (0.58) MTNR1AMEN1KMT2ALMNA
SCHEMBL18229460 0.85 MTNR1A (0.70) MTNR1AMEN1KMT2ALMNA
SCHEMBL16596182 0.85 MTNR1A (0.70) MTNR1AMEN1KMT2ALMNA
SCHEMBL1233057 0.85 MEN1 (0.83) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7159759 0.85 MTNR1A (0.55) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6791700 0.85 MTNR1A (0.55) HDAC1HDAC2HDAC6HDAC3HDAC4

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 14 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-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-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

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 HDAC1 1/4885HDAC2 8/4885HDAC6 11/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC6 11/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 8/4885HDAC6 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.