SCHEMBL4712146

SCHEMBL4712146

O=C1NC2NC(=O)N(C(Br)Br)C2N1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 3/20 0.41
ABL1 P00519 2/20 0.41
RIN1 Q13671 2/20 0.41
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL8651114 0.70 TDP1 (0.50) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL5500844 0.67 MAPT (0.48) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL11145933 0.65 TDP1 (0.72) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL924239 0.62 TDP1 (0.58) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL192058 0.62 TDP1 (0.68) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL18106267 0.62 TDP1 (0.58) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL36249 0.61 MAPT (0.39) MAPTTDP1ABL1RIN1
SCHEMBL36250 0.61 MAPT (0.39) MAPTTDP1ABL1RIN1
SCHEMBL16859574 0.60 OPRM1 (0.44) MAPTTDP1ABL1RIN1KDM4E
SCHEMBL18106282 0.60 TDP1 (0.64) MAPTTDP1ABL1RIN1KDM4E

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-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
EP-1725558-A1 METHOD FOR PREPARING COMPOUNDS COMPRISING CUCURBITURIL GROUPS Newsouth Innovations Pty Limited (AU) 2006-11-29 EP disclosed
WO-2005090351-A1 METHOD FOR PREPARING COMPOUNDS COMPRISING CUCURBITURIL GROUPS NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2005-09-29 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-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups ACSL6, AGL, LIPA MAPT 3543/4885TDP1 4400/4885ABL1 866/4885

“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.