SCHEMBL4299511

SCHEMBL4299511

O=C1C(O)=C(c2c[nH]c3ccccc23)C(c2cccc(O)c2)N1CCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
RXFP1 Q9HBX9 3/20 0.47
ANXA2 P07355 1/20 0.47
S100A10 P60903 1/20 0.47
GSK3B P49841 1/20 0.46
QPCT Q16769 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
TP53 P04637 3/20 0.44
MDM2 Q00987 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
JAK1 P23458 2/20 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
SCHEMBL3811117 0.92 RXFP1 (0.55) TSHRMAPTRXFP1ANXA2S100A10
SCHEMBL3810826 0.92 TP53 (0.47) TSHRMAPTALOX15RXFP1ANXA2
SCHEMBL4293474 0.91 KDM4E (0.52) TSHRRXFP1ANXA2S100A10GSK3B
SCHEMBL4297936 0.90 ANXA2 (0.52) TSHRRXFP1ANXA2S100A10GSK3B
SCHEMBL3815576 0.88 KDM4E (0.51) TSHRRXFP1ANXA2S100A10GSK3B
SCHEMBL3810523 0.87 KDM4E (0.62) TSHRMAPTALOX15RXFP1ANXA2
SCHEMBL4292274 0.87 GSK3B (0.46) TSHRRXFP1ANXA2S100A10GSK3B
SCHEMBL4300546 0.87 QPCT (0.49) TSHRRXFP1ANXA2S100A10GSK3B
SCHEMBL4301880 0.85 QPCT (0.48) TSHRRXFP1ANXA2S100A10GSK3B
SCHEMBL4306448 0.85 MEN1 (0.64) TSHRMAPTALOX15RXFP1ANXA2

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 TSHR 341/4885MAPT 4821/4885ALOX15 1014/4885

“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.