SCHEMBL4295338

SCHEMBL4295338

CC1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
CYP3A4 P08684 3/20 0.64
CYP2C9 P11712 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 5/20 0.58
POLB P06746 2/20 0.58
HPGD P15428 1/20 0.58
ANXA2 P07355 1/20 0.57
S100A10 P60903 1/20 0.57
RXFP1 Q9HBX9 3/20 0.55
ALOX15 P16050 2/20 0.55
MAPK10 P53779 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 2/20 0.55

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
SCHEMBL4299728 0.92 KDM4E (0.67) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4291452 0.92 KDM4E (0.80) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4299501 0.92 KDM4E (0.70) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4300414 0.90 MEN1 (0.80) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4297007 0.87 KDM4E (0.63) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4297617 0.86 KDM4E (0.62) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4302228 0.86 KDM4E (0.59) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4299498 0.85 KDM4E (0.61) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4305701 0.84 KDM4E (0.57) KDM4ECYP3A4CYP2C9MEN1KMT2A
SCHEMBL4305686 0.84 ANXA2 (0.60) KDM4ECYP3A4CYP2C9MEN1KMT2A

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 KDM4E 2532/4885CYP3A4 1738/4885CYP2C9 1009/4885

“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.