SCHEMBL21099308

SCHEMBL21099308

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnc2c(C)c(Br)c(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
MET P08581 2/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
PRKCQ Q04759 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
PIK3CD O00329 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP13 P45452 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 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
SCHEMBL21137090 1.00 KCNH2 (0.38) KCNH2METMMP1MMP9MMP3
SCHEMBL21099347 0.87 KCNH2 (0.38) KCNH2METMMP1MMP9MMP3
SCHEMBL21099343 0.87 KCNH2 (0.38) KCNH2METMMP1MMP9MMP3
SCHEMBL21137338 0.87 KCNH2 (0.38) KCNH2METMMP1MMP9MMP3
SCHEMBL21099325 0.85 KCNH2 (0.37) KCNH2METMMP1MMP9MMP3
SCHEMBL28648177 0.85 KCNH2 (0.37) KCNH2METMMP1MMP9MMP3
SCHEMBL21099594 0.85 KCNH2 (0.37) KCNH2METMMP1MMP9MMP3
SCHEMBL21050822 0.81 MET (0.39) KCNH2METMMP1MMP9MMP3
SCHEMBL21100021 0.81 MET (0.39) KCNH2METMMP1MMP9MMP3
SCHEMBL21050913 0.80 MAPT (0.44) MAPTALDH1A1LMNA

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-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KCNH2 4078/4885MET 467/4885MMP1 2560/4885

“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.