SCHEMBL18839744

SCHEMBL18839744

CCOC(=O)c1nccn1CC(=O)NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 2/20 0.40
RGS12 O14924 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 3/20 0.39
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL18839791 0.87 KDM4E (0.41) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL30554042 0.84 KDM4E (0.40) ALDH1A1MAPTRGS12KDM4ENPC1
SCHEMBL13031578 0.82 ALDH1A1 (0.40) ALDH1A1MAPTRGS12POLBKDM4E
SCHEMBL12706154 0.81 LPO (0.42) ALDH1A1MAPTRGS12KDM4EKMT2A
SCHEMBL18839651 0.79 KDM4E (0.44) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL18839763 0.79 NPC1 (0.40) ALDH1A1POLBKDM4ENPC1PKM
SCHEMBL30554005 0.78 JMJD6 (0.40) ALDH1A1MAPTRGS12KDM4ENPC1
SCHEMBL30554028 0.78 JMJD6 (0.42) ALDH1A1MAPTRGS12POLBKDM4E
SCHEMBL315751 0.77 KDM4E (0.50) ALDH1A1MAPTPOLBKDM4ENPC1
SCHEMBL3588076 0.77 FPR2 (0.42) ALDH1A1MAPTKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
WO-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS ALDH1A1 2258/4885MAPT 4620/4885RGS12 3184/4885

“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.