SCHEMBL6652949

SCHEMBL6652949

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNCc2nccn2C)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 3/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CXCR4 P61073 2/20 0.38
PADI4 Q9UM07 3/20 0.37
PADI2 Q9Y2J8 1/20 0.37
NFKB1 P19838 1/20 0.37
PSMB5 P28074 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL6653683 0.88 LMNA (0.39) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL6655745 0.86 CXCR4 (0.50) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL6651549 0.86 CXCR4 (0.39) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL6657290 0.85 HDAC3 (0.45) KMT2AMEN1
SCHEMBL6653573 0.85 CXCR4 (0.51) KMT2ADRD2DRD4DRD3L3MBTL1
SCHEMBL6655464 0.82 CXCR4 (0.56) KMT2AMEN1CXCR4
SCHEMBL1638428 0.80 DRD4 (0.52) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL6654652 0.80 CXCR4 (0.46) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL6652952 0.79 CXCR4 (0.41) KMT2ADRD2DRD4DRD3L3MBTL1
SCHEMBL6658155 0.77 MEN1 (0.34) KMT2AMEN1DRD2DRD4DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US claimed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP claimed
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US disclosed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 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-20040254221-A1 Novel Nitrogenous Compound and use thereof NGLY1, NOD1, CCR1 KMT2A 1751/4885MEN1 575/4885DRD2 542/4885

“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.