Sugi Predict

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SCHEMBL4290800

SCHEMBL4290800

O=C1C(O)=C(c2cccc(O)c2)C(c2ccc(CO)o2)N1CCCn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ANXA2 P07355 1/20 0.42
▸ S100A10 P60903 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ FPR1 P21462 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP2 O75604 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
SCHEMBL4299757 0.91 RXFP1 (0.51) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4301118 0.90 PPARG (0.52) RXFP1KDM4ERAB9APPARGNCOR2
SCHEMBL4300458 0.89 KDM4E (0.47) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4305549 0.82 KDM4E (0.55) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4299507 0.81 KDM4E (0.48) RXFP1KDM4ERAB9APPARGNCOR2
SCHEMBL4305591 0.81 KDM4E (0.52) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4293342 0.80 KDM4E (0.67) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4295524 0.80 KDM4E (0.53) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4293708 0.80 QPCT (0.44) RXFP1KDM4EPPARGNCOR2KMT2A
SCHEMBL4296872 0.79 KDM4E (0.50) RXFP1KDM4EPPARGNCOR2KMT2A

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 RXFP1 1183/4885KDM4E 2532/4885RAB9A 1775/4885

“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.