SCHEMBL5577809

SCHEMBL5577809

COC(=O)N(Cc1ccc(OC)cc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
SSTR5 P35346 1/20 0.47
CACNA1G O43497 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ACHE P22303 1/20 0.45
DRD2 P14416 1/20 0.45
SLC18A3 Q16572 1/20 0.45

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
SCHEMBL5577606 0.94 GAA (0.54) GAAKDM4ELMNASIGMAR1MEN1
SCHEMBL5577354 0.92 MCHR1 (0.51) GAAKDM4ELMNASIGMAR1MEN1
SCHEMBL5577247 0.92 GAA (0.48) GAAKDM4ELMNASIGMAR1MEN1
SCHEMBL5577264 0.92 GAA (0.48) GAAKDM4ELMNASIGMAR1SSTR5
SCHEMBL5577731 0.91 MEN1 (0.51) GAAKDM4ELMNASIGMAR1CACNA1G
SCHEMBL5577298 0.91 MEN1 (0.53) KDM4ESIGMAR1CACNA1GMEN1KMT2A
SCHEMBL5577812 0.90 GAA (0.49) GAAKDM4ELMNASIGMAR1MEN1
SCHEMBL5577647 0.90 CACNA1G (0.48) GAAKDM4ELMNASIGMAR1SSTR5
SCHEMBL5577649 0.89 SIGMAR1 (0.46) GAAKDM4ELMNASIGMAR1MEN1
SCHEMBL5577390 0.89 MEN1 (0.52) GAAKDM4ELMNASIGMAR1CACNA1G

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.