SCHEMBL466453

SCHEMBL466453

O=C1NC(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
MDM2 Q00987 5/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.43
CHEK1 O14757 1/20 0.42
WEE1 P30291 1/20 0.42

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
SCHEMBL466483 0.86 RXFP1 (0.53) TP53MDM2RXFP1TSHR
SCHEMBL1713661 0.82 QPCT (0.41) TP53MDM2ALDH1A1TSHR
SCHEMBL466457 0.80 TP53 (0.51) TP53MDM2RXFP1TSHR
SCHEMBL466521 0.80 TP53 (0.50) TP53MDM2ALDH1A1TSHRCHEK1
SCHEMBL4305701 0.79 KDM4E (0.57) TP53MDM2KMT2AMEN1ALDH1A1
SCHEMBL1713833 0.79 QPCT (0.41) TP53MDM2
SCHEMBL4295951 0.78 KDM4E (0.53) TP53MDM2KMT2AMEN1ALDH1A1
SCHEMBL466486 0.77 TP53 (0.44) TP53MDM2KMT2AMEN1RXFP1
SCHEMBL4298239 0.77 KDM4E (0.52) TP53MDM2KMT2AMEN1ALDH1A1
SCHEMBL4299314 0.77 TP53 (0.54) TP53MDM2KMT2AMEN1RXFP1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP claimed
EP-2344157-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2016-05-25 EP claimed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US claimed
US-8889709-B2 Use of isoQC inhibitors in the treatment and prevention of inflammatory diseases or conditions PROBIODRUG AG (DE) 2014-11-18 US claimed
EP-2344157-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2011-07-20 EP claimed
EP-2344158-A1 Use of isoQC inhibitors Probiodrug AG (DE) 2011-07-20 EP claimed
US-20100125086-A1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2010-05-20 US claimed
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US claimed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO claimed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 WO claimed
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed
EP-2344157-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2016-05-25 EP disclosed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US disclosed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US disclosed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US disclosed
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US disclosed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 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-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL TP53 4412/4885MDM2 4814/4885KMT2A 2609/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT TP53 890/4885MDM2 1562/4885KMT2A 3084/4885

“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.