SCHEMBL10135175

SCHEMBL10135175

CC(=O)NC(=O)Nc1sc(Br)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.40
PTK2 Q05397 1/20 0.40
IKBKB O14920 5/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 1/20 0.38
CHEK1 O14757 1/20 0.37
EIF2AK2 P19525 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
GFER P55789 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
SCHEMBL5105544 0.87 MEN1 (0.59) MEN1KMT2AALDH1A1HSD17B10PTK2
SCHEMBL7055093 0.84 IKBKB (0.43) MEN1KMT2AALDH1A1HSD17B10IKBKB
SCHEMBL5099231 0.81 IKBKB (0.36) MEN1KMT2AALDH1A1HSD17B10IKBKB
SCHEMBL491042 0.80 IKBKB (0.55) MEN1KMT2AALDH1A1HSD17B10IKBKB
SCHEMBL5207334 0.79 IKBKB (0.54) MEN1KMT2AALDH1A1HSD17B10IKBKB
Bicarbonate SCHEMBL5978736 0.75 IKBKB (0.50) MEN1KMT2AIKBKBJAK2JAK3
Bicarbonate SCHEMBL5978745 0.75 IKBKB (0.50) MEN1KMT2AIKBKBJAK2JAK3
SCHEMBL13930117 0.74 IKBKB (0.42) MEN1KMT2AALDH1A1HSD17B10IKBKB
Bicarbonate SCHEMBL5978731 0.74 IKBKB (0.52) MEN1KMT2AIKBKBJAK2JAK3
SCHEMBL1681287 0.74 IKBKB (0.39) MEN1KMT2AALDH1A1HSD17B10IKBKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 US disclosed
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 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 (3 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-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS IKBKE, CSNK1A1, CSNK1E MEN1 4227/4885KMT2A 2169/4885ALDH1A1 4053/4885
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA MEN1 2285/4885KMT2A 1977/4885ALDH1A1 2776/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK MEN1 4052/4885KMT2A 898/4885ALDH1A1 4456/4885

“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.