SCHEMBL2833306

SCHEMBL2833306

NC(=O)C1CCCN1C(=O)CCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TSHR P16473 4/20 0.44
LMNA P02545 4/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PREP P48147 1/20 0.39
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
UCHL1 P09936 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL2829415 0.98 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2831417 0.96 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2827618 0.90 TSHR (0.43) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2829863 0.89 LMNA (0.44) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2829159 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2826803 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2824916 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2826613 0.85 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2829579 0.84 LMNA (0.44) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL2829235 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATSHRLMNA

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 4020/4885NPC1 2003/4885RAB9A 3056/4885

“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.