SCHEMBL6018341

SCHEMBL6018341

O=C(N[C@@H](CCCN[C@H]1CCCc2cccnc21)C(=O)NCc1cccc2ccccc12)c1ccc(CNCc2ccccn2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
RAB9A P51151 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRM1 Q13255 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL6018112 0.93 HDAC1 (0.44) CXCR4HDAC1HDAC6CHRNB2CHRNB4
SCHEMBL6018347 0.91 FOLH1 (0.37) CXCR4HDAC1HDAC6CHRNB2CHRNB4
SCHEMBL6990541 0.91 FOLH1 (0.37) CXCR4HDAC1HDAC6CHRNB2CHRNB4
SCHEMBL6018818 0.91 FOLH1 (0.37) CXCR4HDAC1HDAC6CHRNB2CHRNB4
SCHEMBL6018408 0.90 HDAC1 (0.38) CXCR4HDAC1HDAC6CHRNB2CHRNB4
SCHEMBL6019482 0.90 CXCR4 (0.50) CXCR4HDAC1HDAC6FNTAFNTB
SCHEMBL6019439 0.90 SLC40A1 (0.36) CXCR4HDAC1HDAC6CHRNB2CHRNB4
SCHEMBL6018159 0.89 HDAC1 (0.41) CXCR4HDAC1HDAC6FNTAFNTB
SCHEMBL6018964 0.87 CXCR4 (0.38) CXCR4HDAC1HDAC6RAB9AMAPK14
SCHEMBL6019435 0.86 MMP2 (0.38) CXCR4HDAC1HDAC6SMN1; SMN2

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 2185/4885HDAC1 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.