SCHEMBL3818778

SCHEMBL3818778

CCCCCC1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccc(C)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.54
ALOX15 P16050 2/20 0.54
MAPK10 P53779 2/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 4/20 0.51
RXFP1 Q9HBX9 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
USP2 O75604 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PPARG P37231 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4303912 0.90 KDM4E (0.57) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL4299208 0.90 KDM4E (0.48) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL4294215 0.86 KDM4E (0.59) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL3821022 0.86 RXFP1 (0.56) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL4293479 0.85 KDM4E (0.70) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL4295941 0.85 KDM4E (0.58) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL3817058 0.84 KDM4E (0.60) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL4290787 0.84 RXFP1 (0.58) FPR1KDM4EALDH1A1RXFP1CYP1A2
SCHEMBL4291023 0.84 KDM4E (0.50) FPR1ALOX15MAPK10KDM4EALDH1A1
SCHEMBL4298611 0.83 KDM4E (0.56) FPR1ALOX15MAPK10KDM4EALDH1A1

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 10 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
EP-2089383-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) 2009-08-19 EP 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
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 FPR1 1975/4885ALOX15 1014/4885MAPK10 3611/4885

“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.