SCHEMBL986728

SCHEMBL986728

COC(=O)c1cc(Br)cc2ccn(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC11 Q96DB2 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90B1 P14625 2/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGER4 P35408 2/20 0.39
PTGDR Q13258 2/20 0.39
MAOB P27338 2/20 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
SCHEMBL1075731 0.88 MAPT (0.45) MAPTHDAC8HDAC6HDAC3HDAC1
SCHEMBL30552948 0.86 PTGER4 (0.49) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL12584210 0.83 PTGS2 (0.53) MAPTHDAC8HDAC6HDAC3HDAC1
SCHEMBL1271452 0.81 PTGER4 (0.48) MAPTHSP90AA1HSP90B1ALDH1A1KDM4E
SCHEMBL12584194 0.80 CYP11B1 (0.46) MAPTHDAC8HDAC6HDAC3HDAC1
SCHEMBL23879093 0.78 PTGER4 (0.62) ALDH1A1KDM4EPTGER4PTGDR
SCHEMBL989499 0.78 PTGER4 (0.44) MAPTHDAC8HDAC6HDAC3HDAC1
SCHEMBL12583777 0.77 KDM4E (0.46) MAPTHSP90AA1ALDH1A1KDM4EPTGER4
SCHEMBL5183997 0.77 MAPK10 (0.52) MAPTHSP90AA1HSP90B1ALDH1A1KDM4E
SCHEMBL10085252 0.77 PTGER4 (0.43) MAPTHDAC8HDAC6HDAC3HDAC1

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-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 MAPT 4773/4885HDAC8 564/4885HDAC6 1766/4885

“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.