SCHEMBL864308

SCHEMBL864308

CC(C)(C)OC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC2 Q92769 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
MAOB P27338 1/20 0.57
NR4A2 P43354 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
CTSK P43235 1/20 0.54
GUSB P08236 1/20 0.54
PARP10 Q53GL7 1/20 0.54
CASP3 P42574 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SRD5A2 P31213 1/20 0.52

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
SCHEMBL864345 0.87 MAOB (0.55) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL749687 0.86 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL7313799 0.84 POLB (0.53) HDAC1HDAC3HDAC2NPC1RAB9A
SCHEMBL7280656 0.83 ALDH1A1 (0.55) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL832428 0.83 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL3842089 0.83 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1CTSK
SCHEMBL22138858 0.82 MAOB (0.55) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL2009888 0.82 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL6779534 0.82 MAOB (0.65) HDAC1HDAC3HDAC2NCOR2MAOB
SCHEMBL5971699 0.82 NR4A1 (0.68) HDAC1HDAC3HDAC2NCOR2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US disclosed
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 EP disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
EP-1701942-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2006-09-20 EP disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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 (2 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-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A HDAC1 198/4885HDAC3 283/4885HDAC2 1305/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE HDAC1 279/4885HDAC3 452/4885HDAC2 341/4885

“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.