SCHEMBL23964453

SCHEMBL23964453

CC(C)(C)Cc1ccc(N2C(=O)N=NC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ESR1 P03372 1/20 0.44
MGLL Q99685 6/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FAAH O00519 3/20 0.37
HSD11B1 P28845 1/20 0.35
ELANE P08246 2/20 0.32
F2 P00734 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
CTRC Q99895 1/20 0.32
TRIP13 Q15645 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H3 Q13133 2/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL23974181 0.80 GAA (0.47) GAAMGLLFAAHNR1H3
SCHEMBL18211463 0.79 MGLL (0.62) GAAMGLLFAAHRAB9AALDH1A1
SCHEMBL9492443 0.78 MGLL (0.59) GAAESR1MGLLFAAHELANE
SCHEMBL13820062 0.76 MGLL (0.65) GAAMGLLTHRBFAAHNR1H3
SCHEMBL18211377 0.75 GAA (0.54) GAAALDH1A1KDM4ECYP2C19LMNA
SCHEMBL30110715 0.75 GAA (0.54) GAAMGLLFAAHNR1H3TDP1
SCHEMBL22440450 0.74 GAA (0.48) GAAMGLLFAAHALDH1A1
SCHEMBL6685103 0.72 ESR1 (0.74) ESR1THRATHRBHSD11B1ALDH1A1
SCHEMBL12631701 0.71 ELANE (0.62) GAAMGLLELANEF2CTSG
SCHEMBL14199135 0.71 GAA (0.60) GAAMGLLTHRBFAAHELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330798-A1 TREATMENT OF INFECTIONS ASCENDIS PHARMA A/S (DK) 2021-10-28 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-20210330798-A1 TREATMENT OF INFECTIONS H1-10, PM20D2, ELANE GAA 854/4885ESR1 3312/4885MGLL 1465/4885

“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.