SCHEMBL4300175

SCHEMBL4300175

CCC1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.59
FPR1 P21462 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.56
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ANXA2 P07355 1/20 0.48
S100A10 P60903 1/20 0.48
TSHR P16473 2/20 0.47
PPARG P37231 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ALOX15 P16050 2/20 0.46
MAPK10 P53779 2/20 0.46
TP53 P04637 2/20 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
SCHEMBL3821022 0.90 RXFP1 (0.56) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4293455 0.89 RXFP1 (0.60) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4299725 0.86 RXFP1 (0.58) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4303912 0.84 KDM4E (0.57) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4293908 0.84 RXFP1 (0.62) RXFP1FPR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4291443 0.84 RXFP1 (0.62) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4295218 0.83 RXFP1 (0.57) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4297617 0.83 KDM4E (0.62) RXFP1FPR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4299629 0.82 KDM4E (0.54) RXFP1FPR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4303883 0.82 KDM4E (0.64) RXFP1FPR1ALDH1A1SMN1; SMN2GAA

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 1183/4885FPR1 1975/4885ALDH1A1 896/4885

“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.