SCHEMBL3968265

SCHEMBL3968265

O=C1NC2(c3ccc(I)cc3)NC(=O)NC2(c2ccc(I)cc2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
HTR6 P50406 1/20 0.33
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
TPMT P51580 1/20 0.31
PKM P14618 1/20 0.31
CACNA1F O60840 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
SCN1A P35498 1/20 0.30
SCN4A P35499 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CACNA1D Q01668 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3970286 0.86 CNR1 (0.36) CNR1HTR6PKMMMP2MMP9
SCHEMBL10131744 0.69 LMNA (0.51) CNR1HTR6CACNA1FALDH1A1MAPT
SCHEMBL10131458 0.66 CNR1 (0.38) CNR1HTR6ALDH1A1MMP2MMP9
SCHEMBL67142 0.62
SCHEMBL10597056 0.62 HDAC8 (0.50) FAAHMGLLTPMTCA1CA2
SCHEMBL19730855 0.60 HTR6 (0.34) CNR1HTR6
SCHEMBL13527416 0.58 KDM4E (0.30) MAPTBLM
SCHEMBL2236380 0.58 OPRM1 (0.34) TPMTALDH1A1
SCHEMBL21043070 0.58 OPRM1 (0.34) TPMTALDH1A1
SCHEMBL21042475 0.58 TPMT (0.31) TPMT

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
EP-1668012-B1 METHOD FOR PREPARING CUCURBITURILS NEWSOUTH INNOVATIONS PTY LTD (AU) 2011-12-14 EP disclosed
US-7501523-B2 reacting an oligomer consisting of 2-11 linked glycolurils or analogues with one or more compounds selected from glycoluril, glycoluril analogues and/or oligomers of glycoluril or glycoluril analogues, in the presence of an acid, and a template (dimethylaminobenzaldehyde) to form a cucurbit(n)uril NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2009-03-10 US disclosed
US-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2007-12-13 US disclosed
US-20070066818-A1 Method for preparing cucurbiturils ANTHONY IVAN DAY (AU) 2007-03-22 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 (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-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups ACSL6, AGL, LIPA CNR1 688/4885HTR6 1455/4885TGM2 1556/4885
US-20070066818-A1 Method for preparing cucurbiturils AGL, UGCG, MGLL CNR1 891/4885HTR6 1102/4885TGM2 454/4885

“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.