SCHEMBL466483

SCHEMBL466483

O=C1NC(=O)N(CCCn2ccnc2)C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
ANXA2 P07355 1/20 0.53
S100A10 P60903 1/20 0.53
TP53 P04637 12/20 0.52
MDM2 Q00987 12/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL466457 0.93 TP53 (0.51) RXFP1ANXA2S100A10TP53MDM2
SCHEMBL466453 0.86 TP53 (0.48) RXFP1TP53MDM2TSHR
SCHEMBL5061944 0.85 TP53 (0.50) RXFP1ANXA2S100A10TP53MDM2
SCHEMBL5061950 0.85 TP53 (0.50) RXFP1ANXA2S100A10TP53MDM2
SCHEMBL466521 0.83 TP53 (0.50) TP53MDM2TSHR
SCHEMBL5061982 0.83 RXFP1 (0.52) RXFP1ANXA2S100A10TP53MDM2
SCHEMBL5061975 0.83 RXFP1 (0.52) RXFP1ANXA2S100A10TP53MDM2
SCHEMBL14076329 0.83 RXFP1 (0.52) RXFP1ANXA2S100A10TP53MDM2
SCHEMBL466462 0.82 FPR1 (0.59) TP53MDM2KDM4E
SCHEMBL14076307 0.81 RXFP1 (0.48) RXFP1ANXA2S100A10TP53MDM2

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
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-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-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
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-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US disclosed
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US 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
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

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 RXFP1 176/4885ANXA2 4760/4885S100A10 4019/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT RXFP1 3103/4885ANXA2 4536/4885S100A10 2600/4885

“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.