SCHEMBL3970286

SCHEMBL3970286

CC12NC(=O)NC1(c1ccc(I)cc1)NC(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
HTR6 P50406 1/20 0.35
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PKM P14618 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
SCHEMBL3968265 0.86 CNR1 (0.39) CNR1HTR6MMP2MMP9PKM
SCHEMBL13899705 0.82 MAPK1 (0.40) MMP2MMP9
SCHEMBL3975525 0.80 MMP2 (0.48) MMP2MMP9PKM
SCHEMBL10131744 0.69 LMNA (0.51) CNR1HTR6MMP2MMP9
SCHEMBL10131458 0.67 CNR1 (0.38) CNR1HTR6MMP2MMP9
SCHEMBL9717712 0.65 POLB (0.32) PKM
SCHEMBL13201394 0.63 ALDH1A1 (0.45) CNR1
SCHEMBL19730855 0.63 HTR6 (0.34) CNR1HTR6
SCHEMBL25007019 0.59 SMN1; SMN2 (0.41) CNR1HTR6
SCHEMBL11840395 0.59 CYP19A1 (0.34) CNR1HTR6

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 10 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
EP-1725558-A4 METHOD FOR PREPARING COMPOUNDS COMPRISING CUCURBITURIL GROUPS NEWSOUTH INNOVATIONS PTY LTD (AU) 2008-07-30 EP 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
EP-1668012-A4 METHOD FOR PREPARING CUCURBITURILS NEWSOUTH INNOVATIONS PTY LTD (AU) 2007-01-03 EP disclosed
EP-1725558-A1 METHOD FOR PREPARING COMPOUNDS COMPRISING CUCURBITURIL GROUPS Newsouth Innovations Pty Limited (AU) 2006-11-29 EP disclosed
EP-1668012-A1 METHOD FOR PREPARING CUCURBITURILS Newsouth Innovations Pty Limited (AU) 2006-06-14 EP disclosed
WO-2005090351-A1 METHOD FOR PREPARING COMPOUNDS COMPRISING CUCURBITURIL GROUPS NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2005-09-29 WO disclosed
WO-2005026168-A1 METHOD FOR PREPARING CUCURBITURILS UNISEARCH LIMITED (AU) 2005-03-24 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 (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 1455/4885MMP2 4465/4885
US-20070066818-A1 Method for preparing cucurbiturils AGL, UGCG, MGLL CNR1 891/4885HTR6 1102/4885MMP2 4415/4885

“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.