SCHEMBL3973531

SCHEMBL3973531

CC(=O)c1ccc(C(=O)NCc2ccccc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.67
HDAC3 O15379 4/20 0.67
HDAC4 P56524 4/20 0.67
HDAC1 Q13547 4/20 0.67
ESRRG P62508 1/20 0.59
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.50
CSNK2A2 P19784 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL3975181 0.84 HDAC6 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL10162035 0.84 NPC1 (0.69) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL25046069 0.82 HDAC6 (0.64) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL10162536 0.81 SMN1; SMN2 (0.66) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL4927332 0.81 HPGD (0.65) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL4923598 0.81 MMP13 (0.64) RAB9AUSP2SMN1; SMN2KDRCLK1
SCHEMBL12529455 0.80 HDAC1 (0.62) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL17707613 0.80 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL1369163 0.78 HDAC6 (0.59) HDAC6HDAC3HDAC4HDAC1ESRRG
SCHEMBL10130718 0.78 HDAC3 (0.56) HDAC6HDAC3HDAC4HDAC1ESRRG

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
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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 (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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN HDAC6 210/4885HDAC3 201/4885HDAC4 943/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB HDAC6 1330/4885HDAC3 1847/4885HDAC4 1732/4885

“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.