SCHEMBL1054889

SCHEMBL1054889

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
NPC1 O15118 1/20 0.34
P2RX7 Q99572 7/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
BRDT Q58F21 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SDHB P21912 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1054887 1.00 BRD4 (0.35) BRD4NPC1P2RX7LMNAKDM4E
SCHEMBL3854400 0.86 BRD4 (0.38) BRD4NPC1BRD2BRD3BRDT
SCHEMBL3452348 0.85 BRD4 (0.39) BRD4NPC1LMNAKDM4EBRD2
SCHEMBL3452342 0.85 BRD4 (0.39) BRD4NPC1LMNAKDM4EBRD2
SCHEMBL3452346 0.85 BRD4 (0.39) BRD4NPC1LMNAKDM4EBRD2
SCHEMBL11886698 0.81 SYK (0.38) BRD4NPC1P2RX7L3MBTL1KMT2A
SCHEMBL5506152 0.78 BRD4 (0.46) BRD4NPC1KDM4EBRD2BRD3
SCHEMBL1929365 0.78 BRD4 (0.46) BRD4NPC1KDM4EBRD2BRD3
SCHEMBL3848615 0.78 TLR8 (0.39) BRD4SDHB
SCHEMBL3856066 0.78 MAPT (0.40) BRD4P2RX7LMNAMEN1HTT

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 191/4885P2RX7 3258/4885

“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.