SCHEMBL3820126

SCHEMBL3820126

O=C1C(O)=C(c2ccccc2)C(C2CCC=CO2)N1CCCn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.45
ANXA2 P07355 1/20 0.43
S100A10 P60903 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 11/20 0.41
MDM2 Q00987 11/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MDM4 O15151 1/20 0.40

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
SCHEMBL3822958 0.93 KDM4E (0.42) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL3817973 0.86 QPCT (0.44) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4298675 0.84 KDM4E (0.47) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4296422 0.84 RXFP1 (0.49) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4298873 0.83 KDM4E (0.43) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4301904 0.82 KDM4E (0.43) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4303006 0.80 KDM4E (0.41) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4298496 0.77 KDM4E (0.53) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4293820 0.76 KDM4E (0.48) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4303858 0.76 RXFP1 (0.51) RXFP1ANXA2S100A10KDM4ETP53

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 10 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
EP-2089383-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) 2009-08-19 EP 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
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 1183/4885ANXA2 4727/4885S100A10 4742/4885

“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.