SCHEMBL12435247

SCHEMBL12435247

CC(=O)Nc1ccc(C(C)(C)C)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTK2 Q05397 1/20 0.41
MAPK8 P45983 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SORT1 Q99523 1/20 0.39
ADORA3 P0DMS8 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP1A2 P05177 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL14803544 0.82 ADORA3 (0.43) LMNATDP1ADORA3NPC1RAB9A
SCHEMBL9753194 0.78 SORT1 (0.53) KDM4ELMNAALDH1A1GAAPTK2
SCHEMBL28545686 0.75 PTK2 (0.51) KDM4ELMNAPTK2MAPK8HSP90AA1
SCHEMBL19736135 0.75 GRM5 (0.50) KDM4ELMNAPTK2MAPK8HSP90AA1
SCHEMBL1269767 0.75 RAB9A (0.60) KDM4ELMNAALDH1A1L3MBTL1NPC1
SCHEMBL7092192 0.75 SMN1; SMN2 (0.48) KDM4ELMNAALDH1A1GAAPTK2
SCHEMBL2019170 0.75 KDM4E (0.46) KDM4ELMNAALDH1A1GAAPTK2
SCHEMBL9974219 0.75 KDM4E (0.46) KDM4ELMNAALDH1A1GAATDP1
SCHEMBL10183380 0.74 KDM4E (0.57) KDM4ELMNAALDH1A1MAPK8HSP90AA1
SCHEMBL12513100 0.74 MAPK8 (0.47) KDM4ELMNAALDH1A1GAAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440702-B2 1,3-oxazolidin -2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-7915271-B2 1,3-oxazolidin-2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-29 US disclosed
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-05-28 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 (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-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS CETP, MTTP, APOB KDM4E 2862/4885LMNA 672/4885ALDH1A1 1605/4885
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors CETP, MTTP, APOB KDM4E 2862/4885LMNA 672/4885ALDH1A1 1605/4885

“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.