SCHEMBL3985016

SCHEMBL3985016

NC(=O)c1ccc(C2CCCCC2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.51
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMO O15229 1/20 0.45
▸ HDAC1 Q13547 7/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE7A Q13946 1/20 0.42
▸ CDC7 O00311 1/20 0.42

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
SCHEMBL27545241 0.88 ACMSD (0.53) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL27718282 0.87 ACMSD (0.64) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL30868172 0.85 ACMSD (0.54) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL26800328 0.81 KDM4E (0.54) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL30280786 0.81 ACMSD (0.58) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL27512856 0.80 ACMSD (0.45) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL9629587 0.79 ACMSD (0.43) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL22048178 0.78 TBK1 (0.47) ACMSDHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL22246846 0.77 ACMSD (0.53) ACMSDKDM4EKMT2AMEN1MAPT
SCHEMBL1787918 0.77 ACMSD (0.53) ACMSDKDM4EKMT2AMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 — — US disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 — — EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 — — WO 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ACMSD 2517/4885KDM4E 3718/4885KMT2A 4780/4885

“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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