SCHEMBL12735010

SCHEMBL12735010

O=C(O)c1ccc(CCn2c(CN3CCSc4ccccc43)c(Cl)cc(Cl)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MAPT P10636 10/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
PTGER4 P35408 1/20 0.49
PTGER2 P43116 1/20 0.49
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL1426842 0.84 PTGER4 (0.51) HDAC1HDAC6MAPTPTGER4PTGER2
SCHEMBL12734992 0.83 HDAC1 (0.51) HDAC1HDAC6MAPTSMN1; SMN2PTGER4
SCHEMBL12735007 0.83 PTGER4 (0.49) HDAC1HDAC6MAPTPTGER4PTGER2
SCHEMBL4056244 0.80 HDAC1 (0.75) HDAC1HDAC6MAPTSMN1; SMN2TP53
SCHEMBL12735012 0.79 PTGER4 (0.48) HDAC1HDAC6PTGER4PTGER2
SCHEMBL12735000 0.79 PTGER4 (0.50) HDAC1HDAC6PTGER4PTGER2
SCHEMBL13249550 0.79 PTGER4 (0.64) HDAC1HDAC6PTGER4PTGER2HPGD
SCHEMBL12734999 0.78 PTGER4 (0.53) HDAC1HDAC6PTGER4PTGER2
SCHEMBL12735042 0.78 PTGER4 (0.50) HDAC1HDAC6PTGER4PTGER2
SCHEMBL13249295 0.77 PTGER4 (0.65) HDAC1HDAC6PTGER4PTGER2

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-20110082133-A1 PYRIDONE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-04-07 US disclosed
US-20110082133-A1 PYRIDONE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-04-07 US disclosed
EP-2301922-A1 PYRIDONE COMPOUND Astellas Pharma Inc. (JP) 2011-03-30 EP disclosed
WO-2009154190-A1 PYRIDONE COMPOUND アステラス製薬株式会社 (JP) 2009-12-23 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 (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-20110082133-A1 PYRIDONE COMPOUNDS PTGER4, P2RY4, PTGER1 HDAC1 3199/4885HDAC6 4278/4885MAPT 4748/4885

“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.