SCHEMBL6677932

SCHEMBL6677932

CC(NCc1ccc(C(=O)N[C@@H](CCCNC2=NCCN2)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.49
WDR5 P61964 6/20 0.37
F2 P00734 2/20 0.37
CASR P41180 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
EPHX2 P34913 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
PPARG P37231 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
SCHEMBL6656129 0.93 CXCR4 (0.47) CXCR4WDR5F2CASRADRA2A
SCHEMBL6652092 0.89 CXCR4 (0.55) CXCR4CASRADRA2AADRA2BADRA2C
SCHEMBL6655100 0.86 CXCR4 (0.54) CXCR4CASRADRA2AADRA2BADRA2C
SCHEMBL6653747 0.85 CXCR4 (0.53) CXCR4CASRADRA2AADRA2BADRA2C
SCHEMBL7022515 0.85 CXCR4 (0.53) CXCR4WDR5F2CASRMETAP2
SCHEMBL6656540 0.85 CXCR4 (0.52) CXCR4CASRADRA2AADRA2BADRA2C
SCHEMBL6653537 0.84 CXCR4 (0.50) CXCR4CASRADRA2AADRA2BADRA2C
SCHEMBL6677936 0.83 CXCR4 (0.53) CXCR4WDR5F2CASRMETAP2
SCHEMBL6655045 0.83 CXCR4 (0.57) CXCR4CASRADRA2AADRA2BADRA2C
SCHEMBL6655027 0.82 CXCR4 (0.51) CXCR4CASRADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 88/4885WDR5 904/4885F2 2207/4885

“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.