SCHEMBL466496

SCHEMBL466496

O=C1NC(=O)N(CCCn2ccnc2)C1c1ccc(F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.46
MDM2 Q00987 8/20 0.46
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
QPCT Q16769 3/20 0.42
GSK3B P49841 2/20 0.42
CYP19A1 P11511 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NOS1 P29475 1/20 0.39
HMOX2 P30519 1/20 0.39

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
SCHEMBL13343074 0.89 TP53 (0.48) TP53MDM2HPGDRXFP1NOS1
SCHEMBL466521 0.76 TP53 (0.50) TP53MDM2HSD17B10
SCHEMBL466483 0.75 RXFP1 (0.53) TP53MDM2KDM4ERXFP1
SCHEMBL466453 0.74 TP53 (0.48) TP53MDM2RXFP1
SCHEMBL466486 0.73 TP53 (0.44) TP53MDM2KDM4ERXFP1NOS1
SCHEMBL466457 0.72 TP53 (0.51) TP53MDM2KDM4ERXFP1
SCHEMBL1713622 0.71 QPCT (0.43) QPCTGSK3B
SCHEMBL14076318 0.69 MDM2 (0.44) TP53MDM2CYP19A1RXFP1
SCHEMBL5063882 0.69 MDM2 (0.44) TP53MDM2CYP19A1RXFP1
SCHEMBL5063886 0.69 MDM2 (0.44) TP53MDM2CYP19A1RXFP1

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 28 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 4814/4885KDM4E 1136/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT TP53 890/4885MDM2 1562/4885KDM4E 4332/4885

“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.