SCHEMBL5166294

SCHEMBL5166294

COC(=O)C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
HDAC1 Q13547 1/20 0.40
CPB2 Q96IY4 1/20 0.38
GRIN2B Q13224 1/20 0.38
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
SCN9A Q15858 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP17A1 P05093 1/20 0.34
ATR Q13535 1/20 0.34
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
RECQL P46063 1/20 0.33
XBP1 P17861 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7259895 0.83 HDAC1 (0.41) NAMPTHDAC1CPB2GRIN2BGSK3B
SCHEMBL7257280 0.81 NAMPT (0.46) NAMPTHDAC1GRIN2BGSK3BDYRK1A
SCHEMBL7260124 0.79 NAMPT (0.44) NAMPTHDAC1CPB2GRIN2BGSK3B
SCHEMBL2533910 0.79 CPB2 (0.49) CPB2ESR1ESR2
SCHEMBL7256357 0.78 CPB2 (0.41) NAMPTHDAC1CPB2GRIN2BGSK3B
SCHEMBL14509382 0.78 CPB2 (0.47) CPB2
SCHEMBL31407652 0.78 KLK5 (0.48) NAMPTHDAC1GRIN2BITGA4ITGB7
SCHEMBL7257179 0.77 GRIN2B (0.41) NAMPTHDAC1GRIN2BSCN9AMEN1
SCHEMBL5465881 0.76 CPB1 (0.47) NAMPTHDAC1CPB2GRIN2B
SCHEMBL7260258 0.76 NAMPT (0.42) NAMPTHDAC1GRIN2BGSK3BDYRK1A

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-8710232-B2 Imidazole derivatives used as TAFIa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-04-29 US disclosed
EP-1864979-A1 Imidazole-derivatives as TAFAIa-inhibitors Sanofi-Aventis Deutschland GmbH (DE) 2007-12-12 EP disclosed
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-07 US disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 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-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS TFPI, TFPI2, SERPINC1 NAMPT 1982/4885HDAC1 149/4885CPB2 49/4885

“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.