SCHEMBL4297673

SCHEMBL4297673

CCCCCC1C(c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.47
GSK3B P49841 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
JAK3 P52333 3/20 0.42
KDM4E B2RXH2 2/20 0.42
JAK1 P23458 2/20 0.42
IDE P14735 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.41
MDM2 Q00987 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ANXA2 P07355 1/20 0.41
S100A10 P60903 1/20 0.41
CYP19A1 P11511 1/20 0.40
TBXAS1 P24557 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
SCHEMBL4306604 0.97 QPCT (0.47) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4298852 0.95 QPCT (0.48) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4305795 0.91 QPCT (0.49) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4299703 0.88 QPCT (0.50) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4291120 0.86 QPCT (0.48) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4296931 0.86 QPCT (0.51) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4300069 0.84 KDM4E (0.48) KMT2AMEN1KDM4ETP53MDM2
SCHEMBL3811117 0.82 RXFP1 (0.55) QPCTGSK3BKMT2AMEN1KDM4E
SCHEMBL4304798 0.82 QPCT (0.49) QPCTGSK3BKMT2AMEN1JAK3
SCHEMBL4300546 0.82 QPCT (0.49) QPCTGSK3BKMT2AMEN1JAK3

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 4 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US 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 QPCT 4/4885GSK3B 3683/4885KMT2A 2205/4885

“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.