SCHEMBL4300546

SCHEMBL4300546

O=C1C(O)=C(c2c[nH]c3ccccc23)C(c2c[nH]c3ccccc23)N1CCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.49
GSK3B P49841 1/20 0.49
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ANXA2 P07355 1/20 0.47
S100A10 P60903 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
JAK1 P23458 2/20 0.45
JAK3 P52333 2/20 0.45
TP53 P04637 3/20 0.44
MDM2 Q00987 3/20 0.44
IDE P14735 1/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL4301880 0.93 QPCT (0.48) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4293425 0.93 KDM4E (0.49) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4303876 0.92 RXFP1 (0.48) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL3815347 0.91 QPCT (0.47) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL3811117 0.91 RXFP1 (0.55) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4300368 0.90 KDM4E (0.45) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4297936 0.90 ANXA2 (0.52) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4293474 0.89 KDM4E (0.52) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4290788 0.88 QPCT (0.47) QPCTGSK3BKDM4ERXFP1ANXA2
SCHEMBL4298706 0.88 KDM4E (0.52) QPCTGSK3BKDM4ERXFP1ANXA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US claimed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US claimed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 4/4885GSK3B 3683/4885KDM4E 2532/4885

“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.