SCHEMBL19805083

SCHEMBL19805083

N#Cc1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.80
ALDH1A1 P00352 13/20 0.80
MAPT P10636 11/20 0.80
HPGD P15428 10/20 0.80
NPSR1 Q6W5P4 3/20 0.80
TP53 P04637 2/20 0.80
LMNA P02545 1/20 0.80
HTT P42858 5/20 0.66
MAPK1 P28482 4/20 0.64
GAA P10253 7/20 0.64
RXFP1 Q9HBX9 5/20 0.61
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 4/20 0.56
EEF2K O00418 1/20 0.55
GLA P06280 4/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL20467123 0.81 KDM4E (0.67) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL427370 0.78 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL12562437 0.77 KDM4E (0.81) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL12818768 0.74 IKBKB (0.64) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2614845 0.73 ALDH1A1 (0.66) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL19805194 0.72 ALDH1A1 (0.71) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL20467122 0.70 GUSB (0.87) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL8272436 0.69 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2614847 0.68 LMNA (0.61) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL1320500 0.68 ALDH1A1 (0.66) KDM4EALDH1A1MAPTHPGDNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-05-24 US disclosed
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-10-31 US disclosed
WO-2018142365-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-08-09 WO disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 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 (2 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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof GUSB, ENGASE, MGAM KDM4E 4075/4885ALDH1A1 511/4885MAPT 768/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM KDM4E 4075/4885ALDH1A1 511/4885MAPT 768/4885

“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.