SCHEMBL22004300

SCHEMBL22004300

CC(C)n1c(-c2ccc(C(=O)N(C)C)cc2)cc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 9/20 0.56
▸ MALT1 Q9UDY8 1/20 0.43
▸ F10 P00742 1/20 0.42
▸ GFER P55789 1/20 0.39
▸ TP53 P04637 4/20 0.39
▸ MDM2 Q00987 4/20 0.39
▸ PHGDH O43175 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL22004311 0.87 ACLY (0.55) ACLYGFERTP53MDM2
SCHEMBL22004112 0.86 ACLY (0.57) ACLYPHGDH
SCHEMBL22004299 0.84 ACLY (0.59) ACLYMALT1F10GFERPHGDH
SCHEMBL22004310 0.82 ACLY (0.50) ACLYTP53
SCHEMBL22021596 0.82 ACLY (0.58) ACLYMALT1F10GFER
SCHEMBL22021594 0.79 ACLY (0.55) ACLYGFERPHGDH
SCHEMBL22003798 0.77 ACLY (0.44) ACLYPHGDH
SCHEMBL22004303 0.76 ACLY (0.59) ACLYPHGDH
SCHEMBL22005071 0.76 ACLY (0.47) ACLY
SCHEMBL22004395 0.75 KCNH2 (0.45) ACLYF10KCNH2

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 1/4885MALT1 4874/4885F10 2748/4885

“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.

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