SCHEMBL1386243

SCHEMBL1386243

Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
TMIGD3 P0DMS9 1/20 0.46
KIF11 P52732 1/20 0.42
P2RY14 Q15391 1/20 0.42
BRD4 O60885 3/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5506422 0.80 NPC1 (0.43) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13494304 0.80 CTSS (0.43) LMNANPC1PPARG
SCHEMBL1929365 0.77 BRD4 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ABRD4
SCHEMBL5506152 0.77 BRD4 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ABRD4
SCHEMBL5758990 0.76 GAA (0.52) LMNATP53ALDH1A1SMN1; SMN2GAA
SCHEMBL4359237 0.76 KIF11 (0.53) LMNATP53ALDH1A1SMN1; SMN2GAA
SCHEMBL3849980 0.75 KIF11 (0.53) KIF11CYP3A4CYP2C19
SCHEMBL1384092 0.74 KIF11 (0.60) KIF11CYP3A4CYP2C19
SCHEMBL1384302 0.73 KIF11 (0.42) NPC1RAB9AKIF11BRD4CYP3A4
SCHEMBL13494316 0.72 CTSL (0.47) LMNAPPARGCYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US claimed
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
JP-4836280-B2 2011-12-14 JP 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
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
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-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 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

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 LMNA 4285/4885TP53 1337/4885ALDH1A1 408/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC LMNA 4285/4885TP53 1337/4885ALDH1A1 408/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC LMNA 4285/4885TP53 1337/4885ALDH1A1 408/4885

“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.