SCHEMBL12853333

SCHEMBL12853333

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccccc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.65
NAMPT P43490 3/20 0.52
GRIN2B Q13224 1/20 0.48
HDAC6 Q9UBN7 4/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NR1H2 P55055 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HCAR3 P49019 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43

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
SCHEMBL31710845 0.84 NAMPT (0.57) HDAC1NAMPTGRIN2BL3MBTL1MAPT
SCHEMBL2053222 0.82 NAMPT (0.56) HDAC1NAMPTGRIN2BL3MBTL1MAPT
SCHEMBL13456709 0.81 NAMPT (0.53) HDAC1NAMPTGRIN2BL3MBTL1
SCHEMBL13035302 0.81 NAMPT (0.54) HDAC1NAMPTGRIN2BL3MBTL1MAPT
SCHEMBL165628 0.79 NAMPT (0.73) HDAC1NAMPT
SCHEMBL949620 0.79 NAMPT (0.48) HDAC1NAMPTGRIN2BRAB9AMAPT
SCHEMBL1436302 0.79 HDAC1 (0.62) HDAC1NAMPTHDAC6LMNARAB9A
SCHEMBL540536 0.79 NAMPT (0.50) HDAC1NAMPTGRIN2BRAB9AL3MBTL1
SCHEMBL15354526 0.79 NAMPT (0.50) HDAC1NAMPTGRIN2BRAB9AL3MBTL1
SCHEMBL1680636 0.78 GRIN2B (0.48) HDAC1NAMPTGRIN2BLMNARAB9A

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-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 HDAC1 469/4885NAMPT 3662/4885GRIN2B 3208/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HDAC1 362/4885NAMPT 3226/4885GRIN2B 1849/4885

“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.