SCHEMBL22005118

SCHEMBL22005118

Cn1c(-c2cncnc2)cc2cc(Cl)c(C(=O)O)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 7/20 0.55
FTO Q9C0B1 1/20 0.38
EIF4E P06730 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP11B2 P19099 1/20 0.35
GPR35 Q9HC97 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PTGER4 P35408 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL22005107 0.86 ACLY (0.59) ACLYMAOACYP11B2KMT2A
SCHEMBL22005117 0.84 ACLY (0.53) ACLYFTOEIF4EMAOAMAOB
SCHEMBL22003821 0.74 ACLY (0.51) ACLYGPR35KMT2A
SCHEMBL22004231 0.72 ACLY (1.00) ACLY
SCHEMBL22004125 0.72 ACLY (0.49) ACLYMAOACYP11B2KMT2A
SCHEMBL22005109 0.71 ACLY (0.56) ACLYMAOAKMT2A
SCHEMBL20916534 0.70 MAOB (0.44) ACLYMAOAMAOB
SCHEMBL5789239 0.70 ACLY (0.46) ACLYKMT2A
SCHEMBL22005143 0.67 ACLY (0.48) ACLYKMT2A
SCHEMBL5790230 0.67 ACLY (0.49) ACLYKMT2A

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.