SCHEMBL3095175

SCHEMBL3095175

CC(C)(C)OC(=O)n1nc(C=O)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
DTYMK P23919 1/20 0.39
ELANE P08246 13/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2176354 0.83 L3MBTL1 (0.42) POLBDTYMKELANEDDB1CRBN
SCHEMBL29773369 0.83 L3MBTL1 (0.42) POLBDTYMKELANEDDB1CRBN
SCHEMBL25703825 0.82 POLB (0.41) POLBDTYMKELANEDDB1CRBN
SCHEMBL3606964 0.82 DTYMK (0.42) POLBDTYMKELANEDDB1CRBN
SCHEMBL15902469 0.80 MAP2K4 (0.43) ELANEKDM4EMEN1NPC1RAB9A
SCHEMBL29443983 0.80 MAP2K4 (0.43) ELANEKDM4EMEN1NPC1RAB9A
SCHEMBL2883080 0.79 POLB (0.41) POLBDTYMKELANEDDB1CRBN
SCHEMBL29587624 0.79 POLB (0.41) POLBDTYMKELANEDDB1CRBN
SCHEMBL30991722 0.78 POLB (0.40) POLBDTYMKELANEDDB1CRBN
SCHEMBL13797879 0.78 ELANE (0.33) ELANEGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
WO-2009067166-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2009-05-28 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-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B POLB 1/4885DTYMK 156/4885ELANE 1005/4885

“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.