SCHEMBL2825403

SCHEMBL2825403

CN(C)CCNC(=O)c1ccc(C(=O)CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SETD7 Q8WTS6 1/20 0.57
THRB P10828 2/20 0.56
THRA P10827 1/20 0.56
HPGD P15428 4/20 0.52
LMNA P02545 3/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
BLM P54132 2/20 0.50
HTT P42858 1/20 0.50
PMP22 Q01453 1/20 0.50
NAMPT P43490 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL30046741 0.88 ALDH1A1 (0.73) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL1241975 0.83 ALDH1A1 (0.63) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL6207528 0.81 SMN1; SMN2 (0.67) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL11407954 0.81 ALDH1A1 (0.65) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL1409860 0.80 LMNA (0.71) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL4171218 0.80 HDAC1 (0.68) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL19418228 0.80 ALDH1A1 (0.63) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL21531026 0.80 ALDH1A1 (0.63) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL15209143 0.80 ALDH1A1 (0.63) ALDH1A1SETD7THRBTHRAHPGD
SCHEMBL6882330 0.80 ALDH1A1 (0.63) ALDH1A1SETD7THRBTHRAHPGD

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-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US disclosed
EP-1781287-A4 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES GENENTECH INC (US) 2008-02-27 EP disclosed
EP-1781287-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES Genentech, Inc. (US) 2007-05-09 EP disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US disclosed
WO-2006020767-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENZYMES GENENTECH, INC. (US) 2006-02-23 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK ALDH1A1 554/4885SETD7 4678/4885THRB 1492/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ALDH1A1 554/4885SETD7 4678/4885THRB 1492/4885

“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.