SCHEMBL6657565

SCHEMBL6657565

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNCc2ccccn2)cc1)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
HDAC3 O15379 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
NCOR2 Q9Y618 4/20 0.47
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ACHE P22303 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
SNCA P37840 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
SCHEMBL6657094 0.93 MMP2 (0.44) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL6654299 0.90 CXCR4 (0.47) CXCR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL6017927 0.90 CXCR4 (0.49) CXCR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL6653529 0.88 MMP2 (0.43) MMP2MMP9MMP8KMT2AMEN1
SCHEMBL6657290 0.88 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL6655550 0.87 NPC1 (0.43) HDAC1MMP2MMP9MMP8KMT2A
SCHEMBL6659666 0.85 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL6658800 0.85 NAMPT (0.41) MMP2MMP9MMP8KMT2AMEN1
SCHEMBL6655745 0.85 CXCR4 (0.50) CXCR4KMT2AMEN1
SCHEMBL6654534 0.84 ACHE (0.48) CXCR4HDAC3HDAC1HDAC2NCOR2

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 CXCR4 88/4885HDAC3 1711/4885HDAC1 393/4885

“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.