Sugi Predict

Sugi Predict / Compounds / SCHEMBL4303376

SCHEMBL4303376

SCHEMBL4303376

O=C1C(O)=C(c2cccc(O)c2)C(c2cc(Cl)cc(Cl)c2O)N1CCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.51
▸ MDM2 Q00987 5/20 0.51
▸ KDM4E B2RXH2 1/20 0.44
▸ CHEK1 O14757 3/20 0.43
▸ WEE1 P30291 3/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ANXA2 P07355 1/20 0.42
▸ S100A10 P60903 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ PPARG P37231 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
SCHEMBL4304756 0.92 TP53 (0.55) TP53MDM2KDM4ERXFP1MEN1
SCHEMBL4296202 0.90 TP53 (0.49) TP53MDM2KDM4ECHEK1WEE1
SCHEMBL4299507 0.85 KDM4E (0.48) TP53MDM2KDM4ERXFP1MEN1
SCHEMBL4290806 0.82 KDM4E (0.52) TP53MDM2KDM4ERXFP1MEN1
SCHEMBL4297742 0.81 TP53 (0.47) TP53MDM2KDM4ECHEK1WEE1
SCHEMBL4293342 0.80 KDM4E (0.67) TP53MDM2KDM4ERXFP1MEN1
SCHEMBL4295717 0.80 TP53 (0.49) TP53MDM2KDM4ERXFP1MEN1
SCHEMBL4292231 0.80 KDM4E (0.43) TP53MDM2KDM4ECHEK1WEE1
SCHEMBL3812274 0.79 RXFP1 (0.55) TP53MDM2KDM4ERXFP1MEN1
SCHEMBL4299823 0.79 KDM4E (0.45) TP53MDM2KDM4ECHEK1WEE1

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 TP53 4054/4885MDM2 4517/4885KDM4E 2532/4885

“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.