SCHEMBL1386444

SCHEMBL1386444

C1COC(N2CCOCC2)CN1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2A13 Q16696 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL28175563 0.85 HTR6 (0.36)
SCHEMBL1966529 0.85 HTR6 (0.41)
SCHEMBL9557656 0.85 HTR6 (0.36)
SCHEMBL3854811 0.83 HTR6 (0.39)
SCHEMBL21422730 0.80
SCHEMBL9557652 0.80
SCHEMBL1956709 0.79
SCHEMBL15322806 0.72 CYP2A13 (0.39) CYP2A13ALDH1A1HPGD
SCHEMBL6897214 0.72
SCHEMBL23513852 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 EP claimed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US claimed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US claimed
JP-4836280-B2 2011-12-14 JP claimed
US-7745443-B2 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-29 US claimed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US claimed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 US claimed
EP-1765789-A1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP claimed
US-20060009472-A1 Substituted imidazole derivatives CHIRON CORPORATION 2006-01-12 US claimed
WO-2006002236-A1 N- (1- (1-BENZYL -4-PHENYL-1H-IMIDAZOL-2-YL) -2,2-DYMETHYLPROPYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-01-05 WO claimed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
US-20060009472-A1 Substituted imidazole derivatives CHIRON CORPORATION 2006-01-12 US disclosed
WO-2006002236-A1 N- (1- (1-BENZYL -4-PHENYL-1H-IMIDAZOL-2-YL) -2,2-DYMETHYLPROPYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-01-05 WO disclosed
JP-2005194339-A TREE TAR REMOVER SPRAY AND ITS USE METHOD YUUM KOGYO:KK 2005-07-21 JP disclosed
WO-2003023568-A2 COMPUTATIONAL METHOD FOR DETERMINING ORAL BIOAVAILABILITY PARATEK PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-4942221-A CYANIDING, REDUCTION ALBERT ROLLAND S.A. (FR) 1990-07-17 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-20060009472-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC MEN1 1542/4885KMT2A 2589/4885KDM4E 2042/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC MEN1 1542/4885KMT2A 2589/4885KDM4E 2042/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC MEN1 1542/4885KMT2A 2589/4885KDM4E 2042/4885

“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.