SCHEMBL5577802

SCHEMBL5577802

COC(=O)N(Cc1ccccc1)c1cccc(OC)c1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 6/20 0.47
SLC6A12 P48065 2/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
BACE1 P56817 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
POLB P06746 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MCHR1 Q99705 1/20 0.45
CHRM4 P08173 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
SCHEMBL5577411 0.91 GAA (0.47) DRD3MEN1KMT2AGAAKDM4E
SCHEMBL5577485 0.87 MEN1 (0.52) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL5577734 0.85 GAA (0.51) DRD3MEN1KMT2AGAAKDM4E
SCHEMBL5577529 0.82 MEN1 (0.48) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL5577780 0.82 MEN1 (0.51) DRD3MEN1KMT2ASIGMAR1CHRM4
SCHEMBL5577753 0.81 ACHE (0.46) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL5577820 0.78 GAA (0.53) GAAKDM4ELMNASIGMAR1SLC6A12
SCHEMBL5577446 0.78 GAA (0.51) DRD3GAAKDM4ELMNASIGMAR1
SCHEMBL5577501 0.78 ACHE (0.46) DRD3GAAKDM4ELMNASIGMAR1
SCHEMBL5577273 0.76 SIGMAR1 (0.45) DRD3MEN1KMT2AGAAKDM4E

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 DRD3 4080/4885MEN1 748/4885KMT2A 3527/4885

“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.