SCHEMBL2828631

SCHEMBL2828631

O=C1CCCN1CCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
TSHR P16473 7/20 0.51
LMNA P02545 5/20 0.51
HSD17B10 Q99714 2/20 0.51
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPK1 P28482 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
USP2 O75604 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3979549 0.88 SMN1; SMN2 (0.59) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3973655 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2828568 0.87 TSHR (0.53) SMN1; SMN2TSHRLMNAHSD17B10ALDH1A1
SCHEMBL2826480 0.86 SMN1; SMN2 (0.40) SMN1; SMN2TSHRLMNAHSD17B10ALDH1A1
SCHEMBL2830081 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826602 0.85 SMN1; SMN2 (0.57) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3984042 0.83 SMN1; SMN2 (0.66) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2827567 0.83 SMN1; SMN2 (0.56) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL14238285 0.82 TSHR (0.37) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL4996252 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRLMNAHSD17B10OPRM1

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 12 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
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 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
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 disclosed
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 disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US 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 (2 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 4020/4885TSHR 2723/4885LMNA 4104/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK SMN1; SMN2 4020/4885TSHR 2723/4885LMNA 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.