SCHEMBL21099607

SCHEMBL21099607

CC(C)(C)OC(=O)N1CCN(c2c([N+](=O)[O-])cnc3cc(Br)c(Cl)cc23)[C@@H](CCl)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.39
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 10/20 0.35
PRKCQ Q04759 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP8B1 Q9UNU6 1/20 0.34
NR1D1 P20393 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 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
SCHEMBL21137316 0.94 MET (0.39) METKCNH2GPR119PRKCQALDH1A1
SCHEMBL21099203 0.94 MET (0.39) METKCNH2GPR119PRKCQALDH1A1
SCHEMBL21099361 0.94 MET (0.39) METKCNH2GPR119PRKCQALDH1A1
SCHEMBL21099211 0.88 SMARCA2 (0.37) GPR119IDO1TDO2
SCHEMBL21050918 0.87 ABL1 (0.36) ALDH1A1CYP8B1
SCHEMBL21050822 0.87 MET (0.39) METKCNH2GPR119PRKCQALDH1A1
SCHEMBL21100021 0.87 MET (0.39) METKCNH2GPR119PRKCQALDH1A1
SCHEMBL21136775 0.85 MET (0.47) METKCNH2ALDH1A1LMNAMAPT
SCHEMBL21099345 0.82 MET (0.41) METGPR119PRKCQALDH1A1LMNA
SCHEMBL21050677 0.81 ABL1 (0.36) ALDH1A1CYP8B1

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 MET 467/4885KCNH2 4078/4885GPR119 945/4885

“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.