SCHEMBL8775532

SCHEMBL8775532

[CH2]C(OCC)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.46
KCNH2 Q12809 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
CYP2D6 P10635 2/20 0.44
KCNE1 P15382 2/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CHRM2 P08172 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
LMNA P02545 2/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL28012567 0.81 KCNA5 (0.49) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL15704684 0.81 KCNA5 (0.49) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL15280655 0.79 KCNA5 (0.47) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL28382973 0.78 MEN1 (0.49) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742078 0.78 KCNA5 (0.50) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742312 0.77 KCNA5 (0.42) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742015 0.76 KCNA5 (0.45) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL16440378 0.75 SLC6A2 (0.52) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742017 0.75 KCNH2 (0.44) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742316 0.75 KCNA5 (0.44) KCNA5KCNH2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107027309-B Antibacterial agent 昆士兰大学 2021-10-01 CN disclosed
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 US disclosed
EP-3105244-A1 ANTIBACTERIAL AGENTS The University Of Queensland (AU) 2016-12-21 EP disclosed
WO-2015117196-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 WO disclosed
EP-0807098-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-19 EP disclosed
WO-1996023753-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 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-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS KCNA5 1199/4885KCNH2 2500/4885MEN1 3291/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS KCNA5 1199/4885KCNH2 2500/4885MEN1 3291/4885

“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.