SCHEMBL5577356

SCHEMBL5577356

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MCHR1 Q99705 8/20 0.47
HRH3 Q9Y5N1 4/20 0.47
SIGMAR1 Q99720 4/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
BACE1 P56817 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
SLC6A12 P48065 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
TSHR P16473 1/20 0.43

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 0.91 GAA (0.50) GAAKDM4ELMNAMCHR1SIGMAR1
SCHEMBL5577812 0.90 GAA (0.49) GAAKDM4ELMNAMCHR1SIGMAR1
SCHEMBL5577354 0.90 MCHR1 (0.51) GAAKDM4ELMNAMCHR1HRH3
SCHEMBL5577606 0.90 GAA (0.54) GAAKDM4ELMNAMCHR1SIGMAR1
SCHEMBL5577443 0.89 GAA (0.45) GAAKDM4ELMNAMCHR1HRH3
SCHEMBL5577753 0.85 ACHE (0.46) GAAKDM4ELMNAMCHR1HRH3
SCHEMBL5577247 0.85 GAA (0.48) GAAKDM4ELMNAMCHR1HRH3
SCHEMBL5577809 0.84 GAA (0.47) GAAKDM4ELMNAHRH3SIGMAR1
SCHEMBL5577649 0.84 SIGMAR1 (0.46) GAAKDM4ELMNAMCHR1HRH3
SCHEMBL5577817 0.83 SIGMAR1 (0.52) GAAKDM4ELMNASIGMAR1MEN1

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.