SCHEMBL2829110

SCHEMBL2829110

Cc1cc(C(=O)NCCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
MKNK1 Q9BUB5 4/20 0.42
TSHR P16473 5/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GRK2 P25098 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2827560 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MKNK1TSHROPRM1OPRD1
SCHEMBL2827601 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MKNK1TSHROPRM1OPRD1
SCHEMBL2830100 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MKNK1TSHROPRM1OPRD1
SCHEMBL2831312 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MKNK1TSHROPRM1OPRD1
SCHEMBL2830858 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MKNK1TSHROPRM1OPRD1
SCHEMBL2829113 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MKNK1TSHROPRM1OPRD1
SCHEMBL2826617 0.80 SMN1; SMN2 (0.44) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2831457 0.80 SMN1; SMN2 (0.56) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830500 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830313 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP claimed
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-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 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 SMN1; SMN2 4020/4885MKNK1 2365/4885TSHR 2723/4885

“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.