SCHEMBL4299720

SCHEMBL4299720

O=C1C(O)=C(c2c[nH]c3ccccc23)C(c2ccco2)N1CCCn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.53
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FPR1 P21462 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
QPCT Q16769 2/20 0.46
GSK3B P49841 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ANXA2 P07355 1/20 0.44
S100A10 P60903 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4295826 0.87 KDM4E (0.47) RXFP1ALDH1A1MAPTALOX15FPR1
SCHEMBL3811117 0.87 RXFP1 (0.55) RXFP1ALDH1A1MAPTHTTQPCT
SCHEMBL4300546 0.87 QPCT (0.49) RXFP1SMN1; SMN2QPCTGSK3BKMT2A
SCHEMBL4297936 0.86 ANXA2 (0.52) RXFP1ALDH1A1POLBFPR1QPCT
SCHEMBL4293708 0.86 QPCT (0.44) RXFP1ALDH1A1FPR1SMN1; SMN2QPCT
SCHEMBL4301880 0.85 QPCT (0.48) RXFP1ALDH1A1HTTSMN1; SMN2QPCT
SCHEMBL4293474 0.85 KDM4E (0.52) RXFP1ALDH1A1FPR1SMN1; SMN2QPCT
SCHEMBL4290788 0.84 QPCT (0.47) RXFP1HSD17B10QPCTGSK3BKMT2A
SCHEMBL4291443 0.84 RXFP1 (0.62) RXFP1ALDH1A1FPR1SMN1; SMN2GAA
SCHEMBL3815347 0.84 QPCT (0.47) RXFP1ALDH1A1HTTQPCTGSK3B

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 9 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-2009074233-A1 SURFACE-MODIFIED NANOPARTICLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO 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 RXFP1 1183/4885ALDH1A1 896/4885POLB 2197/4885

“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.