SCHEMBL20518650

SCHEMBL20518650

NNC(=O)Cn1nnnc1CCCNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4C Q9H3R0 1/20 0.34
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL20518621 0.96 KDM4E (0.37) KDM4EALDH1A1PKMKMT2AKDM4C
SCHEMBL18839655 0.92 ALDH1A1 (0.39) KDM4EALDH1A1PKMKMT2AKDM4C
SCHEMBL20518691 0.83 TRPV1 (0.43) KDM4EALDH1A1PKMKMT2AKDM4C
SCHEMBL18839842 0.77 KDM4C (0.41) KDM4EALDH1A1PKMKMT2AKDM4C
SCHEMBL18839648 0.75 KDM4E (0.41) KDM4EALDH1A1PKMKMT2AKDM4C
SCHEMBL20518595 0.73 PKM (0.38) KDM4EALDH1A1PKM
SCHEMBL18839784 0.71 MAPK1 (0.56) KDM4EALDH1A1PKMKMT2AGAA
SCHEMBL16110625 0.71 CYP1A2 (0.47) KDM4EALDH1A1PKMKMT2AGAA
SCHEMBL18839743 0.71 ALDH1A1 (0.43) KDM4EALDH1A1PKMKMT2AGAA
SCHEMBL20518665 0.69 PKM (0.37) KDM4EALDH1A1PKM

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 1 patent. 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

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 KDM4E 4330/4885ALDH1A1 2258/4885PKM 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.