SCHEMBL5577339

SCHEMBL5577339

CC(=O)N(Cc1ccc(C)cc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
MCHR1 Q99705 8/20 0.49
HRH3 Q9Y5N1 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL5577305 0.94 GAA (0.57) KDM4EGAALMNAMCHR1MEN1
SCHEMBL5577367 0.92 GAA (0.50) KDM4EGAALMNAMEN1KMT2A
SCHEMBL5577713 0.91 GAA (0.46) KDM4EGAALMNAMEN1KMT2A
SCHEMBL5577282 0.91 ACHE (0.47) KDM4EGAALMNAALDH1A1ACHE
SCHEMBL5577264 0.90 GAA (0.48) KDM4EGAALMNAMEN1KMT2A
SCHEMBL5577354 0.90 MCHR1 (0.51) KDM4EGAALMNAMCHR1HRH3
SCHEMBL5577715 0.89 MEN1 (0.49) KDM4EGAALMNAMEN1KMT2A
SCHEMBL5577702 0.88 MCHR1 (0.51) KDM4EGAALMNAMCHR1HRH3
SCHEMBL5577468 0.87 MEN1 (0.54) KDM4EGAALMNAMEN1KMT2A
SCHEMBL5577790 0.87 ACHE (0.56) KDM4EGAALMNAMCHR1MEN1

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 KDM4E 4213/4885GAA 3806/4885LMNA 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.