SCHEMBL3201006

SCHEMBL3201006

COc1ccccc1-c1c(C(N)=O)cccc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
S1PR1 P21453 1/20 0.46
CTSA P10619 1/20 0.43
CDC7 O00311 1/20 0.43
ECE1 P42892 1/20 0.43
MAPK8 P45983 1/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42

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
SCHEMBL3201976 0.92 CTSA (0.45) PARP1KEAP1NFE2L2S1PR1CTSA
SCHEMBL3201031 0.92 PARP1 (0.46) PARP1KEAP1NFE2L2S1PR1CTSA
SCHEMBL3201989 0.85 CTSA (0.45) PARP1S1PR1CTSACDC7ECE1
SCHEMBL995828 0.80 CSNK1A1 (0.50) PARP1KEAP1NFE2L2KDM4ENPC1
SCHEMBL30517722 0.80 CSNK1A1 (0.50) PARP1KEAP1NFE2L2KDM4ENPC1
SCHEMBL5396495 0.80 ADRA1D (0.52) CTSAECE1TUBB4ATUBBTUBA3C
SCHEMBL29715238 0.80 ADRA1D (0.52) CTSAECE1TUBB4ATUBBTUBA3C
SCHEMBL12503020 0.80 PARP1 (0.46) PARP1KEAP1NFE2L2S1PR1CDC7
Hydrochloric Acid SCHEMBL30810223 0.79 CSNK1A1 (0.49) PARP1KEAP1NFE2L2KDM4ENPC1
SCHEMBL30810276 0.78 PARP1 (0.45) PARP1KEAP1NFE2L2KDM4ENPC1

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 4 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 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 PARP1 3969/4885KEAP1 1211/4885NFE2L2 4242/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK PARP1 3969/4885KEAP1 1211/4885NFE2L2 4242/4885

“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.