SCHEMBL1854844

SCHEMBL1854844

FC(F)(F)c1cccc(CN2CCc3c(Br)cccc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
ACACB O00763 4/20 0.48
BRS3 P32247 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT1 Q99873 1/20 0.45
TACR1 P25103 2/20 0.44
KDR P35968 1/20 0.44
TEAD1 P28347 3/20 0.43
ADORA1 P30542 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL29644344 0.82 ACACB (0.59) ACACBCARM1PRMT6PRMT1
SCHEMBL28739031 0.82 ACACB (0.59) ACACBCARM1PRMT6PRMT1
Bromide SCHEMBL7984185 0.80 ALDH1A1 (0.51) KDM4EALDH1A1GAALMNADRD2
SCHEMBL7987036 0.79 KDM4E (0.50) KDM4EALDH1A1GAALMNADRD2
SCHEMBL1854687 0.78 KDM4E (0.54) KDM4EALDH1A1GAALMNADRD2
SCHEMBL697853 0.77 KDM4E (0.53) KDM4EALDH1A1GAALMNADRD2
SCHEMBL2439744 0.77 KDM4E (0.62) KDM4EALDH1A1GAALMNADRD2
SCHEMBL1853855 0.76 FFAR1 (0.51) KDM4EALDH1A1GAALMNADRD2
SCHEMBL6974043 0.76 KDM4E (0.54) KDM4EALDH1A1GAALMNADRD2
SCHEMBL16593829 0.75 PTGER4 (0.58) KDM4EALDH1A1GAALMNADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 KDM4E 3467/4885ALDH1A1 2005/4885GAA 4210/4885

“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.