SCHEMBL8015272

SCHEMBL8015272

COc1ccccc1N1C(=O)N(Cc2ccccc2Cc2ccccc2)C(C)(C)C1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HTR1A P08908 2/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
TAS2R8 Q9NYW2 5/20 0.44
MGLL Q99685 1/20 0.41
HSD11B1 P28845 1/20 0.40
ALOX15 P16050 1/20 0.38
TNF P01375 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL12603235 0.89 HDAC1 (0.47) HDAC1HDAC6HTR1AHTR7HTR6
SCHEMBL12603198 0.88 HDAC1 (0.47) HDAC1HDAC6HTR1AHTR7HTR6
SCHEMBL8031790 0.88 NR1H2 (0.47) HDAC1HDAC6TAS2R8MGLL
SCHEMBL8027996 0.86 TAS2R8 (0.43) HDAC1HDAC6TAS2R8MGLL
SCHEMBL12873223 0.84 HDAC1 (0.56) HDAC1HDAC6HTR1AHTR7HTR6
SCHEMBL8030961 0.84 HTR1A (0.43) HDAC1HDAC6HTR1AHTR7HTR6
SCHEMBL8032968 0.84 NR1H2 (0.43) HDAC1HDAC6HTR1AHTR7HTR6
SCHEMBL8026303 0.84 HDAC1 (0.41) HDAC1HDAC6HTR1AHTR7HTR6
SCHEMBL8019165 0.84 TAS2R8 (0.44) HDAC1HDAC6TAS2R8
SCHEMBL8032943 0.83 HDAC1 (0.40) HDAC1HDAC6HTR7TAS2R8MGLL

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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
WO-2009097997-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC HDAC1 1283/4885HDAC6 2453/4885HTR1A 1528/4885

“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.