SCHEMBL3065336

SCHEMBL3065336

c1ccn(CCCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM1A O60341 5/20 0.50
SIGMAR1 Q99720 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.43
DUSP3 P51452 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL7068328 0.89 ALDH1A1 (0.46) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL1998867 0.82 KEAP1 (0.71) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL7772370 0.80 KDM1A (0.48) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
Ammonia Solution, Strong SCHEMBL9400430 0.79 KEAP1 (0.68) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL11222517 0.79 KEAP1 (0.68) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL12387 0.78 HRH3 (0.54) SMN1; SMN2SIGMAR1KDM4EMAPK1CYP1A2
SCHEMBL7239607 0.77 KEAP1 (0.71) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL31283708 0.76 KDM1A (0.44) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL28123666 0.76 ALDH1A1 (0.41) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL5091789 0.75 KEAP1 (0.62) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB

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 KEAP1 1211/4885SMN1; SMN2 4020/4885KDM1A 3589/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KEAP1 1211/4885SMN1; SMN2 4020/4885KDM1A 3589/4885

“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.