SCHEMBL8216093

SCHEMBL8216093

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
TP53 P04637 1/20 0.44
NPY5R Q15761 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
TNIK Q9UKE5 1/20 0.42
GCGR P47871 1/20 0.42
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
F10 P00742 1/20 0.41
NAMPT P43490 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
ADAM17 P78536 1/20 0.39

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
SCHEMBL16357674 1.00 MGLL (0.44) MGLLTP53NPY5RMAPTPOLB
SCHEMBL8212390 0.87 TP53 (0.47) TP53MAPTPOLBTNIKGCGR
SCHEMBL8212426 0.79 ADAM17 (0.48) NPY5RADAM17
SCHEMBL8218258 0.77 GCGR (0.45) TP53MAPTPOLBTNIKGCGR
SCHEMBL8208199 0.73 TAAR1 (0.56) MAPTPOLBKMT2ARXFP1KDM4E
SCHEMBL11112302 0.73 TNIK (0.56) TP53MAPTPOLBTNIKKMT2A
SCHEMBL8208251 0.72 GAA (0.58) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL8215606 0.72 RAB9A (0.52) MAPTPOLBKMT2AALDH1A1
SCHEMBL26503656 0.71 SYK (0.44) TP53MAPTPOLBTNIKGCGR
SCHEMBL8215563 0.70 NPY5R (0.54) NPY5RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 MGLL 588/4885TP53 2177/4885NPY5R 2834/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF MGLL 1313/4885TP53 2201/4885NPY5R 2558/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI MGLL 496/4885TP53 2273/4885NPY5R 2022/4885

“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.