SCHEMBL5577704

SCHEMBL5577704

CC(=O)N(Cc1cccnc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 4/20 0.45
TSHR P16473 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 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
SCHEMBL5577450 0.91 SIGMAR1 (0.45) GAALMNAKDM4EOPRM1OPRD1
SCHEMBL5577305 0.90 GAA (0.57) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577322 0.89 OPRM1 (0.46) GAALMNAKDM4EOPRM1OPRD1
SCHEMBL5577339 0.86 KDM4E (0.50) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577367 0.86 GAA (0.50) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577715 0.85 MEN1 (0.49) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577713 0.85 GAA (0.46) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577885 0.85 SIGMAR1 (0.52) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577282 0.85 ACHE (0.47) GAALMNAKDM4ESIGMAR1ACHE
SCHEMBL5577357 0.85 SIGMAR1 (0.43) GAALMNAKDM4EOPRM1OPRD1

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 3806/4885LMNA 4819/4885KDM4E 4213/4885

“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.