SCHEMBL6018964

SCHEMBL6018964

CC(C)(C)OC(=O)N(Cc1ccccn1)Cc1ccc(C(=O)N[C@@H](CCCN[C@H]2CCCc3cccnc32)C(=O)NCc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.38
XIAP P98170 1/20 0.34
BIRC3 Q13489 1/20 0.34
BIRC2 Q13490 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
RAB9A P51151 1/20 0.32
CYP3A4 P08684 2/20 0.32
SCN9A Q15858 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
MCHR1 Q99705 1/20 0.32
ADORA2A P29274 1/20 0.32
MAPK14 Q16539 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL6018467 0.91 CXCR4 (0.36) CXCR4XIAPBIRC3BIRC2HDAC1
SCHEMBL6018341 0.87 CXCR4 (0.38) CXCR4HDAC1HDAC6RAB9ACYP3A4
SCHEMBL6018112 0.86 HDAC1 (0.44) CXCR4HDAC1HDAC6MCHR1ADORA2A
SCHEMBL6018408 0.84 HDAC1 (0.38) CXCR4HDAC1HDAC6PSMB5MCHR1
SCHEMBL6018280 0.81 CXCR4 (0.37) CXCR4XIAPBIRC3BIRC2HDAC1
SCHEMBL6018611 0.81 CXCR4 (0.44) CXCR4HDAC1HDAC6ADORA2ACNR1
SCHEMBL6691032 0.80 CXCR4 (0.36) CXCR4HDAC1HDAC6CYP3A4ADORA2A
SCHEMBL6019439 0.80 SLC40A1 (0.36) CXCR4HDAC1HDAC6MCHR1ADORA2A
SCHEMBL6018194 0.80 FNTA (0.38) CXCR4HDAC1HDAC6ADORA2A
SCHEMBL6018114 0.80 CXCR4 (0.36) CXCR4HDAC1HDAC6ADORA2A

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
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
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 (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 2185/4885XIAP 1425/4885BIRC3 2012/4885

“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.