SCHEMBL976350

SCHEMBL976350

NC(=O)CCCC(=O)NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.65
HDAC8 Q9BY41 8/20 0.65
HDAC6 Q9UBN7 7/20 0.65
HDAC3 O15379 6/20 0.65
HDAC2 Q92769 6/20 0.65
HDAC5 Q9UQL6 4/20 0.65
HSP90AA1 P07900 1/20 0.52
ENPEP Q07075 1/20 0.48
FOLH1 Q04609 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM6B O15054 1/20 0.48
KDM5C P41229 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
PHF8 Q9UPP1 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
HDAC11 Q96DB2 4/20 0.42
HDAC10 Q969S8 3/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC4 P56524 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42

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
SCHEMBL2808617 0.94 HDAC1 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL2810504 0.92 HDAC1 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL29055202 0.92 HDAC1 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL2813818 0.92 HDAC1 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC2
Glutarodihydroxamic Acid SCHEMBL11768782 0.88 HDAC1 (0.81) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL27643837 0.86 FOLH1 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL137189 0.86
Ammonia Solution, Strong SCHEMBL2217876 0.83 FOLH1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
Hydrochloric Acid SCHEMBL28102677 0.83 FOLH1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2
Fluoride SCHEMBL27659982 0.83 FOLH1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209504-B1 DERIVATIZED TERTIARY AMINES AND USES THEREOF ETHICON INC (US) 2012-12-26 EP disclosed
US-7868123-B2 Derivatized tertiary amines and uses thereof ETHICON, INC. (US) 2011-01-11 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
EP-2209504-A2 DERIVATIZED TERTIARY AMINES AND USES THEREOF ETHICON, INC. (US) 2010-07-28 EP disclosed
EP-2190845-A2 HDAC INHIBITORS ArQule, Inc. (US) 2010-06-02 EP disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO 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
WO-2009067491-A2 DERIVATIZED TERTIARY AMINES AND USES THEREOF ETHICON, INC. (US) 2009-05-28 WO disclosed
US-20090131938-A1 DERIVATIZED TERTIARY AMINES AND USES THEREOF ETHICON, INC. 2009-05-21 US 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
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 WO 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
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 WO 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 (4 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC8 10/4885HDAC6 9/4885
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC8 6/4885HDAC6 11/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC8 6/4885HDAC6 11/4885
US-20090131938-A1 DERIVATIZED TERTIARY AMINES AND USES THEREOF SHROOM3, EHMT2, EHMT1 HDAC1 503/4885HDAC8 2435/4885HDAC6 672/4885

“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.