SCHEMBL5506152

SCHEMBL5506152

CC(C)(C)[C@@H](NC(=O)O)c1nc(-c2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.46
NPC1 O15118 2/20 0.39
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
PDE10A Q9Y233 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NOTUM Q6P988 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1929365 1.00 BRD4 (0.46) BRD4NPC1BRD2BRD3BRDT
SCHEMBL5506422 0.91 NPC1 (0.43) BRD4NPC1BRD2BRD3BRDT
SCHEMBL11886649 0.89 ACE (0.43) BRD4L3MBTL1KMT2A
SCHEMBL5505089 0.84 P2RY12 (0.38) BRD4NPC1
SCHEMBL3452346 0.83 BRD4 (0.39) BRD4NPC1BRD2BRD3BRDT
SCHEMBL3452342 0.83 BRD4 (0.39) BRD4NPC1BRD2BRD3BRDT
SCHEMBL3452348 0.83 BRD4 (0.39) BRD4NPC1BRD2BRD3BRDT
SCHEMBL14576810 0.82 NPC1 (0.41) BRD4NPC1PDE10AALDH1A1RAB9A
SCHEMBL1054884 0.82 BRD4 (0.38) BRD4NPC1BRD2BRD3BRDT
SCHEMBL3849919 0.82 ELANE (0.47) BRD4BRD2BRD3BRDTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-07-26 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 (1 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-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS CYP3A5, GDI2, HDAC5 BRD4 2965/4885NPC1 191/4885BRD2 3809/4885

“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.