SCHEMBL6654738

SCHEMBL6654738

COc1ccccc1CNCCC[C@H](NC(=O)c1ccc(CNCc2nccn2C)c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TGM2 P21980 2/20 0.37
BMP1 P13497 2/20 0.36
ROCK1 Q13464 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
FOLH1 Q04609 1/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL6651838 0.88 CXCR4 (0.43) CXCR4TGM2CNR2
SCHEMBL6657761 0.87 CXCR4 (0.43) CXCR4TGM2CNR2
SCHEMBL6018231 0.85 FOLH1 (0.41) TGM2FOLH1
SCHEMBL6654733 0.84 MEN1 (0.41) CXCR4MEN1KMT2ATGM2BMP1
SCHEMBL6652095 0.82 CXCR4 (0.60) CXCR4MEN1KMT2ATGM2BMP1
SCHEMBL6694422 0.80 FOLH1 (0.47) TGM2FOLH1CNR2
SCHEMBL6018396 0.79 TGM2 (0.37) CXCR4KMT2ATGM2FOLH1
SCHEMBL6652792 0.78 CXCR4 (0.58) CXCR4MEN1KMT2ATGM2BMP1
SCHEMBL6658361 0.78 CXCR4 (0.40) CXCR4CNR2
SCHEMBL6655038 0.76 CXCR4 (0.54) CXCR4MEN1KMT2ATGM2BMP1

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 88/4885MEN1 575/4885KMT2A 1751/4885

“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.