SCHEMBL3076860

SCHEMBL3076860

NC(=O)c1sccc1CCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 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
SCHEMBL14560378 0.76 SIGMAR1 (0.47) KMT2AGAAGLASIGMAR1POLB
SCHEMBL1385121 0.76 PARP1 (0.54) KMT2ASIGMAR1POLBHTR1AHTR7
SCHEMBL31078620 0.75 KMT2A (0.53) KMT2AGAAPOLBLMNATSHR
SCHEMBL2830425 0.74 DHFR (0.48) KMT2AGAAGLALMNATSHR
SCHEMBL7526237 0.73 PARP1 (0.54) KMT2ASIGMAR1POLBHTR7PARP1
SCHEMBL30230239 0.72 BCAT2 (0.41) KMT2AMEN1
SCHEMBL3829272 0.71 CYP2C9 (0.50) KMT2AGAAPOLBCYP2C19KDM4E
SCHEMBL31078876 0.70 KMT2A (0.49) KMT2AGAAGLANPSR1KDM4E
SCHEMBL30412970 0.69 GPR35 (0.45) KMT2AMEN1
SCHEMBL1935630 0.69 LTB4R (0.40) KMT2AGAAPOLBTSHRKDM4E

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-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
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
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

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 KMT2A 3547/4885GAA 59/4885GLA 814/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KMT2A 3547/4885GAA 59/4885GLA 814/4885

“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.