SCHEMBL4296940

SCHEMBL4296940

CCC1=C(O)C(=O)N(CCCn2ccnc2)C1c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
ANXA2 P07355 1/20 0.46
S100A10 P60903 1/20 0.46
QPCT Q16769 2/20 0.45
GSK3B P49841 1/20 0.45
TP53 P04637 5/20 0.44
MDM2 Q00987 5/20 0.44
IDE P14735 1/20 0.44
FPR1 P21462 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4296802 0.91 KDM4E (0.46) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4298706 0.89 KDM4E (0.52) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4298476 0.89 KDM4E (0.53) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4300546 0.86 QPCT (0.49) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4303876 0.85 RXFP1 (0.48) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4300368 0.84 KDM4E (0.45) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4299629 0.84 KDM4E (0.54) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4299764 0.82 KDM4E (0.52) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4292231 0.82 KDM4E (0.43) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4293425 0.81 KDM4E (0.49) KDM4EKMT2AMEN1CYP1A2CYP3A4

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-8628777-B2 Antibodies binding IL-1 related polypeptides GENENTECH, INC. (US) 2014-01-14 US disclosed
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-20090304701-A1 ANTIBODIES BINDING IL-1 RELATED POLYPEPTIDES GENENTECH, INC. (US) 2009-12-10 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 2532/4885KMT2A 2205/4885MEN1 3171/4885

“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.