SCHEMBL2830875

SCHEMBL2830875

COc1ccc(-c2csc(N(CCCN3CCN(C)CC3)C(=O)c3ccco3)n2)cc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.85
MAPT P10636 3/20 0.85
LMNA P02545 2/20 0.85
TSHR P16473 7/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
USP2 O75604 3/20 0.70
NPSR1 Q6W5P4 3/20 0.70
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
KDM4E B2RXH2 4/20 0.68
HSD17B10 Q99714 2/20 0.68
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
RAD52 P43351 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.57
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL2827583 0.94 MAPK1 (0.86) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2829227 0.93 MAPK1 (0.85) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2826449 0.93 MAPK1 (0.98) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2830229 0.91 TSHR (0.73) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2827006 0.88 TSHR (0.76) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2826994 0.86 KMT2A (0.72) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2829242 0.85 TSHR (0.73) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2830297 0.84 TSHR (0.64) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2825249 0.83 TSHR (0.71) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2829425 0.82 MAPT (0.80) MAPK1MAPTLMNATSHRSMN1; SMN2

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 6 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
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-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 MAPK1 3940/4885MAPT 3561/4885LMNA 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.