SCHEMBL4297936

SCHEMBL4297936

O=C1C(O)=C(c2c[nH]c3ccccc23)C(c2ccncc2)N1CCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 1/20 0.52
S100A10 P60903 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 2/20 0.50
GSK3B P49841 1/20 0.49
QPCT Q16769 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 6/20 0.45
MDM2 Q00987 6/20 0.45
TSHR P16473 1/20 0.45
FPR1 P21462 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3811117 0.95 RXFP1 (0.55) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL4293474 0.94 KDM4E (0.52) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL3810523 0.92 KDM4E (0.62) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL4306448 0.92 MEN1 (0.64) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL4300546 0.90 QPCT (0.49) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL4299511 0.90 TSHR (0.51) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL4301880 0.88 QPCT (0.48) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL3810826 0.88 TP53 (0.47) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL3815576 0.88 KDM4E (0.51) ANXA2S100A10MEN1KMT2ACYP3A4
SCHEMBL4295480 0.88 ANXA2 (0.53) ANXA2S100A10MEN1KMT2ACYP3A4

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 ANXA2 4727/4885S100A10 4742/4885MEN1 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.