SCHEMBL18839655

SCHEMBL18839655

NNC(=O)Cn1nnnc1CCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
KDM4C Q9H3R0 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
GAA P10253 2/20 0.33
GPR139 Q6DWJ6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
POLB P06746 3/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL20518650 0.92 KDM4E (0.38) ALDH1A1KDM4EPKMKDM4CKMT2A
SCHEMBL20518621 0.91 KDM4E (0.37) ALDH1A1KDM4EPKMKDM4CKMT2A
SCHEMBL20518691 0.85 TRPV1 (0.43) ALDH1A1KDM4EPKMKDM4CKMT2A
SCHEMBL18839842 0.79 KDM4C (0.41) ALDH1A1KDM4EPKMKDM4CKMT2A
SCHEMBL18839648 0.77 KDM4E (0.41) ALDH1A1KDM4EPKMKDM4CKMT2A
SCHEMBL18839929 0.76 NAALAD2 (0.38) ALDH1A1KDM4CKMT2AMEN1TRPV1
SCHEMBL18839784 0.73 MAPK1 (0.56) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL16110625 0.73 CYP1A2 (0.47) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL18839743 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL18839792 0.71 USP2 (0.40) ALDH1A1KDM4EPKMKMT2AMEN1

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 2258/4885KDM4E 4330/4885PKM 3431/4885

“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.