SCHEMBL4900416

SCHEMBL4900416

CC(C)(C)OC(=O)NCCn1cc(-c2cccs2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
HDAC1 Q13547 13/20 0.41
HDAC2 Q92769 13/20 0.41
HDAC3 O15379 9/20 0.41
NR4A2 P43354 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4889367 0.83 EGLN1 (0.40) DRD2HDAC1HDAC2HDAC3NR4A2
SCHEMBL21389397 0.78 ALDH1A1 (0.47) DRD2
SCHEMBL4897978 0.77 DRD2 (0.45) DRD2
SCHEMBL3865465 0.74 LTA4H (0.40) HDAC2NR4A2
SCHEMBL30887808 0.74 HDAC1 (0.54) HDAC1HDAC2MEN1KMT2A
SCHEMBL15765305 0.74 DRD2 (0.52) DRD2
SCHEMBL3859168 0.72 LTA4H (0.47) HDAC2NR4A2
SCHEMBL4894394 0.71 KDM4E (0.50) HDAC2
SCHEMBL27194836 0.70 DHFR (0.40) HDAC1HDAC2HDAC3NR4A2
SCHEMBL26208949 0.70 PRMT5 (0.49) DRD2

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 6 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

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 4351/4885HDAC1 1251/4885HDAC2 2491/4885

“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.