SCHEMBL2828628

SCHEMBL2828628

O=C(c1ccco1)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.84
MAPT P10636 4/20 0.84
USP2 O75604 4/20 0.84
MAPK1 P28482 3/20 0.84
NPSR1 Q6W5P4 3/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
KDM4E B2RXH2 2/20 0.84
HSD17B10 Q99714 1/20 0.84
LMNA P02545 5/20 0.80
ALDH1A1 P00352 5/20 0.59
RAD52 P43351 4/20 0.58
KMT2A Q03164 8/20 0.57
MEN1 O00255 6/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GSTO1 P78417 2/20 0.53
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2826474 0.93 TSHR (0.73) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2825249 0.92 TSHR (0.71) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2830229 0.91 TSHR (0.73) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2829586 0.90 TSHR (0.69) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2826449 0.90 MAPK1 (0.98) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2828637 0.88 SMN1; SMN2 (0.65) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2827962 0.86 TSHR (0.69) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2829425 0.86 MAPT (0.80) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2827556 0.85 SMN1; SMN2 (0.64) TSHRMAPTUSP2MAPK1NPSR1
SCHEMBL2826380 0.84 SMN1; SMN2 (0.67) TSHRMAPTUSP2MAPK1NPSR1

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-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 claimed
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 claimed
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 claimed
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 claimed
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
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 TSHR 2723/4885MAPT 3561/4885USP2 1435/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK TSHR 2723/4885MAPT 3561/4885USP2 1435/4885

“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.