SCHEMBL2829112

SCHEMBL2829112

O=C(CN1CCOCC1)NCCCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
GSTO1 P78417 1/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 7/20 0.42
MAPK1 P28482 3/20 0.42
USP2 O75604 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
TOP2A P11388 1/20 0.41
MMP13 P45452 1/20 0.41
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL2826448 0.93 GSTO1 (0.45) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT
SCHEMBL2828558 0.88 TSHR (0.51) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT
SCHEMBL2825281 0.88 SMN1; SMN2 (0.49) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT
SCHEMBL2828500 0.87 SMN1; SMN2 (0.48) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT
SCHEMBL2826617 0.86 SMN1; SMN2 (0.44) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT
SCHEMBL2827560 0.84 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL2831312 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL2830858 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A
SCHEMBL2828607 0.83 SMN1; SMN2 (0.46) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT
SCHEMBL2826294 0.83 RAB9A (0.49) SMN1; SMN2GSTO1KDM4EALDH1A1MAPT

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 4020/4885GSTO1 636/4885KDM4E 3385/4885

“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.