SCHEMBL466462

SCHEMBL466462

CCCOc1ccc(C2C(=O)NC(=O)N2CCCn2ccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.59
ALOX15 P16050 1/20 0.59
MAPK10 P53779 1/20 0.59
GAA P10253 2/20 0.59
TP53 P04637 4/20 0.54
MDM2 Q00987 4/20 0.54
MDM4 O15151 2/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
QPCT Q16769 1/20 0.51
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TBXAS1 P24557 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
SCHEMBL466483 0.82 RXFP1 (0.53) TP53MDM2KDM4E
SCHEMBL466457 0.81 TP53 (0.51) TP53MDM2MDM4KDM4E
SCHEMBL466527 0.80 QPCT (0.52) FPR1ALOX15MAPK10GAACYP3A4
SCHEMBL466453 0.74 TP53 (0.48) TP53MDM2MEN1KMT2AALDH1A1
SCHEMBL466521 0.74 TP53 (0.50) ALOX15TP53MDM2ALDH1A1
SCHEMBL466486 0.73 TP53 (0.44) TP53MDM2KDM4EMEN1KMT2A
SCHEMBL9786346 0.72 KDM4E (0.81) KDM4ELMNAMEN1KMT2AQPCT
SCHEMBL5058069 0.72 KDM4E (0.53) TP53MDM2MDM4KDM4EMEN1
SCHEMBL5058071 0.72 KDM4E (0.53) TP53MDM2MDM4KDM4EMEN1
SCHEMBL5061944 0.71 TP53 (0.50) TP53MDM2MDM4KDM4E

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 27 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-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 WO claimed
WO-2010026209-A1 Use of isoQC 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
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-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

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 FPR1 1755/4885ALOX15 2750/4885MAPK10 1905/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT FPR1 1277/4885ALOX15 1931/4885MAPK10 1355/4885

“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.