SCHEMBL5577812

SCHEMBL5577812

COC(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SIGMAR1 Q99720 8/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
ACHE P22303 1/20 0.45
MCHR1 Q99705 1/20 0.44

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
SCHEMBL5577248 0.90 GAA (0.50) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577356 0.90 GAA (0.50) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577809 0.90 GAA (0.47) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577606 0.89 GAA (0.54) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577731 0.89 MEN1 (0.51) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577529 0.85 MEN1 (0.48) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577354 0.84 MCHR1 (0.51) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577247 0.84 GAA (0.48) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5577298 0.83 MEN1 (0.53) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL5577817 0.83 SIGMAR1 (0.52) GAAKDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C GAA 3806/4885KDM4E 4213/4885LMNA 4819/4885

“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.