SCHEMBL22005117

SCHEMBL22005117

CC(C)n1c(-c2cncnc2)cc2cc(Cl)c(C(=O)O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.53
FTO Q9C0B1 1/20 0.36
EIF4E P06730 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL22005109 0.87 ACLY (0.56) ACLYMAOAMAPTKMT2AKDM4E
SCHEMBL22005118 0.84 ACLY (0.55) ACLYFTOEIF4EMAOAMAOB
SCHEMBL22003820 0.76 ACLY (0.51) ACLYMEN1MAPTKMT2ATSHR
SCHEMBL22004122 0.74 ACLY (0.46) ACLYMEN1MAPTKMT2A
SCHEMBL22005107 0.71 ACLY (0.59) ACLYMAOAMAPTKMT2AKDM4E
SCHEMBL22005105 0.70 ACLY (0.46) ACLYMEN1MAPTKMT2AKDM4E
SCHEMBL22005030 0.69 ACLY (0.40) ACLYMEN1MAPTKMT2ATSHR
SCHEMBL22004392 0.66 ACLY (0.47) ACLYKDM4E
SCHEMBL20916534 0.65 MAOB (0.44) ACLYMAOAMAOBMAPTTSHR
SCHEMBL17185601 0.64 FTO (0.56) FTOEIF4ETSHR

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885FTO 2983/4885EIF4E 3404/4885

“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.