SCHEMBL2833391

SCHEMBL2833391

COc1ccc(-c2csc(N(CCCN3CCCC3)C(=O)c3ccccc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 16/20 0.73
MEN1 O00255 10/20 0.73
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
RAD52 P43351 3/20 0.64
ALDH1A1 P00352 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 2/20 0.60
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55

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
SCHEMBL2829852 0.99 KMT2A (0.72) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2826994 0.94 KMT2A (0.72) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2826989 0.92 MAPK1 (0.77) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2824812 0.90 KMT2A (0.56) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2830103 0.88 TSHR (0.73) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2827744 0.87 TSHR (0.57) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2831270 0.87 TSHR (0.72) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2826587 0.87 TSHR (0.72) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2826515 0.86 TSHR (0.57) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL2826671 0.86 TSHR (0.57) KMT2AMEN1LMNAMAPTMAPK1

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 KMT2A 3547/4885MEN1 2593/4885LMNA 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.