SCHEMBL5013428

SCHEMBL5013428

CCCCCN(C=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
CNR2 P34972 2/20 0.44
SIGMAR1 Q99720 3/20 0.42
PKM P14618 2/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
EPHX2 P34913 1/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL14855325 0.98 KCNH2 (0.49) KCNH2CNR2SIGMAR1PKMHDAC6
SCHEMBL11733732 0.98 KCNH2 (0.49) KCNH2CNR2SIGMAR1PKMHDAC6
SCHEMBL7272839 0.95 HDAC6 (0.44) KCNH2PKMHDAC6HDAC3HDAC4
SCHEMBL24938281 0.89 TAAR1 (0.45) KCNH2CNR2
SCHEMBL8857306 0.87 TSHR (0.43) SIGMAR1PKMHDAC6HDAC3HDAC4
SCHEMBL9561425 0.87 KCNH2 (0.53) KCNH2HDAC6HDAC3HDAC4HDAC1
SCHEMBL30686184 0.87 GRIN2D (0.43) KCNH2CNR2DRD2OPRM1DRD3
SCHEMBL5537802 0.84 SIGMAR1 (0.54) KCNH2SIGMAR1
SCHEMBL9500849 0.84 KCNH2 (0.47) KCNH2CNR2SIGMAR1PKMDRD2
SCHEMBL5542605 0.83 SIGMAR1 (0.57) KCNH2SIGMAR1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114010-A1 Novel Substituted Imidazole Compounds SMITHKLINE BEECHAM CORPORATION 2008-05-15 US disclosed
US-7301021-B2 Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-27 US disclosed
EP-1014976-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-03-02 EP disclosed
EP-0889726-B1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2004-09-15 EP disclosed
EP-0999842-A4 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-08-25 EP disclosed
EP-0935465-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP disclosed
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-0900083-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-08-20 EP disclosed
US-20030114452-A1 Novel substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2003-06-19 US disclosed
EP-1314728-A1 Pyridyl and pyrimidinyl imines as intermediates for imidazole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2003-05-28 EP disclosed
EP-0831830-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-01 EP disclosed
US-5716955-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
EP-0802908-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-29 EP disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed
WO-1997025047-A1 NOVEL CYCLOALKYL SUBSTITUDED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed
WO-1997025048-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed
WO-1997025045-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed
WO-1997025046-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed
WO-1996021654-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 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-20030114452-A1 Novel substituted imidazole compounds CREBBP, MAPKAPK2, ATF1 KCNH2 4071/4885CNR2 2141/4885SIGMAR1 2666/4885
US-20080114010-A1 Novel Substituted Imidazole Compounds CREBBP, MAPKAPK2, ATF1 KCNH2 4071/4885CNR2 2141/4885SIGMAR1 2666/4885

“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.