SCHEMBL6018348

SCHEMBL6018348

CC(C)(C)OC(=O)N(Cc1ccc(C(=O)[C@H](CCCNCc2ccc[nH]2)C(=O)O)cc1)Cc1ccccn1.NCc1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
BACE1 P56817 1/20 0.33
CXCR4 P61073 2/20 0.33
MCL1 Q07820 1/20 0.32
NAMPT P43490 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F7 P08709 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
SCHEMBL6018441 0.92 CXCR4 (0.36) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6690903 0.91 CXCR4 (0.41) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6018171 0.89 HDAC1 (0.35) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6018508 0.88 HDAC1 (0.35) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6019642 0.87 HDAC1 (0.34) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6018701 0.87 HDAC1 (0.34) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6018156 0.85 GCGR (0.34) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6689236 0.78 CXCR4 (0.40) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6018874 0.78 CXCR4 (0.39) HDAC1HDAC3HDAC2NCOR2FNTA
SCHEMBL6019678 0.77 CXCR4 (0.46) HDAC1HDAC3HDAC2NCOR2FNTA

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 HDAC1 651/4885HDAC3 2307/4885HDAC2 1538/4885

“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.