SCHEMBL6018280

SCHEMBL6018280

CC(C)(C)OC(=O)N(Cc1ccccn1)Cc1ccc(C(=O)N[C@@H](CCCNC2CCCc3cccnc32)C(=O)O)cn1.NCc1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.37
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CASR P41180 1/20 0.34
ADORA2A P29274 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ITGAV P06756 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGB6 P18564 1/20 0.32
XIAP P98170 1/20 0.31
BIRC3 Q13489 1/20 0.31
BIRC2 Q13490 1/20 0.31

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
SCHEMBL6691032 0.93 CXCR4 (0.36) CXCR4HDAC1HDAC6ADORA2AFNTA
SCHEMBL6018467 0.91 CXCR4 (0.36) CXCR4HDAC1HDAC6ADORA2AFNTA
SCHEMBL6018114 0.90 CXCR4 (0.36) CXCR4HDAC1HDAC6ADORA2AFNTA
SCHEMBL6018194 0.89 FNTA (0.38) CXCR4HDAC1HDAC6ADORA2AFNTA
SCHEMBL6018210 0.88 CXCR4 (0.39) CXCR4HDAC1HDAC6CASRADORA2A
SCHEMBL6018202 0.82 CXCR4 (0.47) CXCR4HDAC1HDAC6CASRADORA2A
SCHEMBL6018557 0.81 HDAC1 (0.43) CXCR4HDAC1HDAC6CASRADORA2A
SCHEMBL6681750 0.81 HDAC1 (0.54) CXCR4HDAC1HDAC6CASRADORA2A
SCHEMBL6018964 0.81 CXCR4 (0.38) CXCR4HDAC1HDAC6ADORA2AXIAP
SCHEMBL6018478 0.81 CXCR4 (0.36) CXCR4HDAC1HDAC6ADORA2AFNTA

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-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP CXCR4 2185/4885HDAC1 651/4885HDAC6 3064/4885

“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.