SCHEMBL4897352

SCHEMBL4897352

CC(C)(C)OC(=O)NCCn1nc(Cl)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.47
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 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
SCHEMBL13896323 0.77 TP53 (0.39) DRD2ALDH1A1GFERKDM4EMEN1
SCHEMBL25955695 0.75 DRD2 (0.47) DRD2ALDH1A1LMNAIDO1BRD4
SCHEMBL1630309 0.75 DRD2 (0.43) DRD2ALDH1A1GFERSTK17BSTK17A
SCHEMBL1630312 0.73 MAPK1 (0.50) DRD2ALDH1A1GFERSTK17BSTK17A
SCHEMBL12307405 0.73 STING1 (0.42) DRD2ALDH1A1GFERSTK17BSTK17A
SCHEMBL20805563 0.73 BRD4 (0.44) DRD2MALT1BRD4
SCHEMBL25345566 0.72 ALDH1A1 (0.41) DRD2ALDH1A1GFERSTK17BSTK17A
SCHEMBL21389397 0.72 ALDH1A1 (0.47) DRD2ALDH1A1GFERKDM4EMALT1
SCHEMBL30625863 0.71 DRD2 (0.42) DRD2ALDH1A1GFERSTK17BSTK17A
SCHEMBL24803532 0.71 DRD2 (0.42) DRD2ALDH1A1GFERSTK17BSTK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 WO disclosed
WO-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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 (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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET DRD2 4351/4885ALDH1A1 293/4885GFER 1504/4885

“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.