SCHEMBL6018467

SCHEMBL6018467

CC(C)(C)OC(=O)N(Cc1ccccn1)Cc1ccc(C(=O)N[C@@H](CCCN[C@@H]2CCCc3cccnc32)C(=O)O)c2ccccc12.NCc1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
XIAP P98170 1/20 0.33
BIRC3 Q13489 1/20 0.33
BIRC2 Q13490 1/20 0.33
ADORA2A P29274 1/20 0.33
PGGT1B P53609 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
ITGAV P06756 2/20 0.31
ITGB6 P18564 2/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL6018280 0.91 CXCR4 (0.37) CXCR4FNTAFNTBXIAPBIRC3
SCHEMBL6018964 0.91 CXCR4 (0.38) CXCR4XIAPBIRC3BIRC2ADORA2A
SCHEMBL6691032 0.90 CXCR4 (0.36) CXCR4FNTAFNTBADORA2AHDAC1
SCHEMBL6018114 0.89 CXCR4 (0.36) CXCR4FNTAFNTBADORA2AHDAC1
SCHEMBL6018194 0.88 FNTA (0.38) CXCR4FNTAFNTBADORA2AHDAC1
SCHEMBL6990541 0.86 FOLH1 (0.37) CXCR4FNTAFNTBADORA2APGGT1B
SCHEMBL6018347 0.86 FOLH1 (0.37) CXCR4FNTAFNTBADORA2APGGT1B
SCHEMBL6018818 0.86 FOLH1 (0.37) CXCR4FNTAFNTBADORA2APGGT1B
SCHEMBL7150127 0.85 HDAC1 (0.42) CXCR4FNTAFNTBADORA2APGGT1B
SCHEMBL6946145 0.83 HDAC1 (0.37) CXCR4FNTAFNTBADORA2APGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound KUREHA CORPORATION (JP) 2004-08-12 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1389460-A1 CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND Kureha Chemical Industry Co., Ltd. (JP) 2004-02-18 EP disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 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 (2 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP CXCR4 2185/4885FNTA 2279/4885FNTB 950/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 CXCR4 1/4885FNTA 3116/4885FNTB 2515/4885

“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.