SCHEMBL6656780

SCHEMBL6656780

C[C@H](NC(=O)[C@H](CCCNC1=NCCN1)NC(=O)c1ccc(CNCc2ccccn2)c2ccccc12)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
F2 P00734 2/20 0.35
WDR5 P61964 5/20 0.34
SSTR4 P31391 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 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
SCHEMBL6017976 0.85 CXCR4 (0.61) CXCR4FNTAFNTBPGGT1B
SCHEMBL6019482 0.80 CXCR4 (0.50) CXCR4FNTAFNTBPGGT1B
SCHEMBL6677936 0.77 CXCR4 (0.53) CXCR4F2WDR5ITGB3ITGAV
SCHEMBL6655088 0.76 CXCR4 (0.68) CXCR4FNTAFNTBPGGT1B
SCHEMBL6677932 0.75 CXCR4 (0.49) CXCR4FNTAFNTBPGGT1BF2
SCHEMBL6656132 0.75 CXCR4 (0.51) CXCR4F2WDR5ITGB3ITGAV
SCHEMBL6018824 0.75 CXCR4 (0.47) CXCR4FNTAFNTBPGGT1B
SCHEMBL6018092 0.75 CXCR4 (0.47) CXCR4FNTAFNTBPGGT1B
SCHEMBL6653556 0.74 CXCR4 (0.42) CXCR4FNTAFNTBPGGT1B
SCHEMBL7022515 0.74 CXCR4 (0.53) CXCR4FNTAFNTBPGGT1BF2

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 2 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 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 88/4885FNTA 2530/4885FNTB 1873/4885

“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.