SCHEMBL6654539

SCHEMBL6654539

CCOc1cccnc1CNCCC[C@H](NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)C(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.54
CASR P41180 2/20 0.37
BMP1 P13497 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
EPHX2 P34913 2/20 0.34
KLKB1 P03952 4/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6652726 0.95 CXCR4 (0.53) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6652738 0.95 CXCR4 (0.54) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6654023 0.94 CXCR4 (0.54) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6657686 0.92 CXCR4 (0.54) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6654211 0.91 CXCR4 (0.56) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6658144 0.91 CXCR4 (0.61) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6654909 0.89 CXCR4 (0.54) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6657509 0.88 CXCR4 (0.58) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6655131 0.88 CXCR4 (0.54) CXCR4CASRBMP1FNTAFNTB
SCHEMBL6652983 0.88 CXCR4 (0.70) CXCR4CASRBMP1FNTAFNTB

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 88/4885CASR 4811/4885BMP1 120/4885

“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.