SCHEMBL4295480

SCHEMBL4295480

O=C1C(O)=C(c2c[nH]c3ccccc23)C(c2cccs2)N1CCCn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 1/20 0.53
S100A10 P60903 1/20 0.53
FPR1 P21462 1/20 0.46
QPCT Q16769 2/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
IDE P14735 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4297936 0.88 ANXA2 (0.52) ANXA2S100A10FPR1QPCTGSK3B
SCHEMBL4300546 0.87 QPCT (0.49) ANXA2S100A10QPCTGSK3BKDM4E
SCHEMBL3811117 0.87 RXFP1 (0.55) ANXA2S100A10QPCTGSK3BALDH1A1
SCHEMBL4293474 0.85 KDM4E (0.52) ANXA2S100A10FPR1QPCTGSK3B
SCHEMBL4301880 0.85 QPCT (0.48) ANXA2S100A10QPCTGSK3BALDH1A1
SCHEMBL4290788 0.84 QPCT (0.47) ANXA2S100A10QPCTGSK3BKDM4E
SCHEMBL4303955 0.84 ANXA2 (0.62) ANXA2S100A10FPR1ALDH1A1HTT
SCHEMBL3815347 0.84 QPCT (0.47) ANXA2S100A10QPCTGSK3BALDH1A1
SCHEMBL3810523 0.84 KDM4E (0.62) ANXA2S100A10FPR1QPCTGSK3B
SCHEMBL4299972 0.84 QPCT (0.47) ANXA2S100A10QPCTGSK3BKDM4E

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 ANXA2 4727/4885S100A10 4742/4885FPR1 1975/4885

“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.