SCHEMBL3105199

SCHEMBL3105199

C=C1C(=O)N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.65
POLB P06746 1/20 0.65
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
EP300 Q09472 1/20 0.53
PLA2G10 O15496 1/20 0.49
PLA2G5 P39877 1/20 0.49
KMT2A Q03164 6/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
MEN1 O00255 4/20 0.45
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
ELANE P08246 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 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
SCHEMBL3105212 1.00 GAA (0.65) GAAPOLBHDAC1HDAC6EP300
SCHEMBL3111866 0.85 GAA (0.50) GAAPOLBHDAC1HDAC6EP300
SCHEMBL3111869 0.85 GAA (0.50) GAAPOLBHDAC1HDAC6EP300
SCHEMBL3103530 0.85 GAA (0.50) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL3103541 0.85 GAA (0.50) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL11270312 0.83 GAA (0.74) GAAPOLBHDAC1HDAC6EP300
SCHEMBL3118214 0.77 PLA2G10 (0.47) GAAPOLBPLA2G10PLA2G5CYP1A2
SCHEMBL3118201 0.77 PLA2G10 (0.47) GAAPOLBPLA2G10PLA2G5CYP1A2
SCHEMBL13879515 0.75 HDAC1 (0.69) GAAPOLBHDAC1HDAC6EP300
SCHEMBL6641053 0.75 GAA (0.63) GAAPOLBHDAC1HDAC6EP300

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-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20060235226-A1 Synthesis of diketopiperazines BEYONDSPRING PHARMACEUTICALS, INC. 2006-10-19 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-20060235226-A1 Synthesis of diketopiperazines DHPS, COASY, TKT GAA 1065/4885POLB 1766/4885HDAC1 2050/4885

“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.