SCHEMBL1054884

SCHEMBL1054884

CC(C)(C)C(N[C@@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)C(C)(C)C)C(F)CNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.38
NPC1 O15118 2/20 0.35
PDE10A Q9Y233 2/20 0.34
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 2/20 0.32
POLB P06746 2/20 0.32
PDE6D O43924 1/20 0.32
PDE5A O76074 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
KLKB1 P03952 1/20 0.32
CSNK1D P48730 1/20 0.31

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
SCHEMBL3452348 0.85 BRD4 (0.39) BRD4NPC1PDE10ABRD2BRD3
SCHEMBL3452342 0.85 BRD4 (0.39) BRD4NPC1PDE10ABRD2BRD3
SCHEMBL3452346 0.85 BRD4 (0.39) BRD4NPC1PDE10ABRD2BRD3
SCHEMBL1929365 0.82 BRD4 (0.46) BRD4NPC1PDE10ABRD2BRD3
SCHEMBL5506152 0.82 BRD4 (0.46) BRD4NPC1PDE10ABRD2BRD3
SCHEMBL3854400 0.77 BRD4 (0.38) BRD4NPC1PDE10ABRD2BRD3
SCHEMBL5506422 0.76 NPC1 (0.43) BRD4NPC1BRD2BRD3BRDT
SCHEMBL11886698 0.76 SYK (0.38) BRD4NPC1P2RX7
SCHEMBL11886649 0.75 ACE (0.43) BRD4P2RX7
SCHEMBL1054889 0.75 BRD4 (0.35) BRD4NPC1BRD2BRD3BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003791-A1 Cyclized Derivatives as EG-5 Inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-01-06 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-20110003791-A1 Cyclized Derivatives as EG-5 Inhibitors CYP3A5, GDI2, HDAC5 BRD4 2965/4885NPC1 191/4885PDE10A 187/4885

“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.