SCHEMBL4290787

SCHEMBL4290787

CCCCCC1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
ANXA2 P07355 1/20 0.58
S100A10 P60903 1/20 0.58
KDM4E B2RXH2 1/20 0.57
TP53 P04637 11/20 0.56
MDM2 Q00987 11/20 0.56
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
MDM4 O15151 2/20 0.52
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.51
FPR1 P21462 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4295941 0.93 KDM4E (0.58) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL3817058 0.92 KDM4E (0.60) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4293479 0.91 KDM4E (0.70) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL3821010 0.91 KDM4E (0.52) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4293908 0.90 RXFP1 (0.62) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL3820932 0.89 KDM4E (0.50) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL3810750 0.89 CYP1A2 (0.72) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4297921 0.88 KDM4E (0.51) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4291484 0.87 KDM4E (0.50) RXFP1ANXA2S100A10KDM4ETP53
SCHEMBL4298611 0.87 KDM4E (0.56) RXFP1KDM4ETP53MDM2MEN1

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 1183/4885ANXA2 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.