SCHEMBL10085682

SCHEMBL10085682

O=C(O)c1cccc2ccn(Cc3ccc4ccccc4n3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
FAAH O00519 1/20 0.44
CYSLTR1 Q9Y271 5/20 0.43
GPBAR1 Q8TDU6 3/20 0.43
CYP1A2 P05177 3/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL12584048 0.87 CYSLTR1 (0.39) FAAHCYSLTR1GPBAR1CYP1A2NPC1
SCHEMBL12584046 0.86 MAPT (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12583772 0.85 CYSLTR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12584082 0.85 PTGDR2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12583900 0.85 CYSLTR1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12583846 0.84 CYSLTR1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8619368 0.84 GPBAR1 (0.57) CYSLTR1GPBAR1CYP1A2NPC1MEN1
SCHEMBL12583909 0.82 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12584243 0.82 MCHR1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28487481 0.81 HDAC11 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
EP-2172447-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 HDAC3 242/4885HDAC4 153/4885HDAC1 548/4885
US-20110028463-A1 AMIDE COMPOUNDS PTGER4, PTGER1, PTGER2 HDAC3 306/4885HDAC4 204/4885HDAC1 749/4885

“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.