SCHEMBL16352187

SCHEMBL16352187

Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3(C#N)CCCCC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.45
DGAT2 Q96PD7 1/20 0.42
ACSS2 Q9NR19 1/20 0.42
AURKA O14965 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
PHKG2 P15735 1/20 0.39
MARK3 P27448 1/20 0.39
FLT3 P36888 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
RPS6KA3 P51812 1/20 0.39
NEK4 P51957 1/20 0.39
CSNK1G2 P78368 1/20 0.39
ITK Q08881 1/20 0.39
MAP4K2 Q12851 1/20 0.39

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
SCHEMBL1973205 0.87 HDAC6 (0.48) HDAC6DGAT2PTGESANO1LCK
SCHEMBL16364091 0.80 DGAT2 (0.39) DGAT2ACSS2IRAK4PTGESANO1
SCHEMBL16352184 0.78 TP53 (0.56) HDAC6L3MBTL1
SCHEMBL1968497 0.78 TP53 (0.56) HDAC6L3MBTL1
SCHEMBL1965470 0.76 HDAC6 (0.56) HDAC6LCKHDAC1HDAC8
SCHEMBL16318485 0.76 PTGES (0.49) HDAC6PTGES
SCHEMBL1974468 0.76 PTGES (0.57) HDAC6PTGES
SCHEMBL1979358 0.75 SIRT2 (0.48) HDAC6AURKAMAP4K4CHEK2PRKCG
SCHEMBL1968998 0.75 HDAC6 (0.65) HDAC6LCKNAMPTHDAC1HDAC8
SCHEMBL1974764 0.75 PTGES (0.50) HDAC6DGAT2PTGESNAMPT

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-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 HDAC6 177/4885DGAT2 4852/4885ACSS2 874/4885

“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.