SCHEMBL2829419

SCHEMBL2829419

COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccccc3)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MAPK1 P28482 4/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
TSHR P16473 3/20 0.58
USP2 O75604 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 7/20 0.55
MEN1 O00255 4/20 0.55
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.48
RAD52 P43351 2/20 0.47
HPGD P15428 1/20 0.46
GSTO1 P78417 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2826998 0.90 MAPT (0.59) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2826989 0.89 MAPK1 (0.77) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830237 0.89 MAPT (0.60) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2829425 0.88 MAPT (0.80) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2828637 0.87 SMN1; SMN2 (0.65) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2829972 0.86 MAPT (0.57) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830311 0.85 MAPK1 (0.56) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830438 0.85 MAPK1 (0.55) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830069 0.84 MAPT (0.54) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830254 0.83 SMN1; SMN2 (0.73) MAPTMAPK1LMNASMN1; SMN2TSHR

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 6 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
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

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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK MAPT 3561/4885MAPK1 3940/4885LMNA 4104/4885

“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.