SCHEMBL2827239

SCHEMBL2827239

COc1ccc(OC)c(-c2csc(N(CCCN(C)C)C(=O)c3ccccc3F)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.75
MEN1 O00255 7/20 0.75
L3MBTL1 Q9Y468 4/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 3/20 0.60
TSHR P16473 4/20 0.59
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 2/20 0.55
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.52

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
SCHEMBL2833510 0.92 KMT2A (0.77) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2830954 0.88 TSHR (0.63) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2831448 0.84 TSHR (0.80) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2830082 0.84 TSHR (0.74) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2826329 0.81 TSHR (0.72) KMT2AMEN1L3MBTL1RAB9ATSHR
SCHEMBL2828727 0.80 KMT2A (0.80) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2829137 0.79 TSHR (0.77) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL5015719 0.79 KMT2A (0.53) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2828585 0.76 TSHR (0.76) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL2829988 0.75 TSHR (0.81) KMT2AMEN1L3MBTL1RAB9ANPC1

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 5 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
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 2593/4885L3MBTL1 3981/4885

“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.