SCHEMBL6019435

SCHEMBL6019435

O=C(N[C@@H](CCCNC1CCCc2cccnc21)C(=O)NCCc1c[nH]c2ccccc12)c1ccc(CNCc2ccccn2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
CXCR4 P61073 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 2/20 0.36
MTNR1A P48039 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NMBR P28336 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
TACR3 P29371 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35

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
SCHEMBL6018188 0.92 SLC40A1 (0.37) TAOK1TAOK3MEN1KMT2APTGS2
SCHEMBL6018341 0.86 CXCR4 (0.38) CXCR4SMN1; SMN2HDAC1HDAC6
SCHEMBL6018159 0.86 HDAC1 (0.41) CXCR4HDAC1HDAC6
SCHEMBL6019482 0.82 CXCR4 (0.50) CXCR4HDAC1HDAC6
SCHEMBL6019208 0.81 MMP2 (0.42) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6018125 0.81 HDAC1 (0.40) CXCR4HDAC1HDAC6
SCHEMBL6990541 0.80 FOLH1 (0.37) CXCR4HDAC1HDAC6
SCHEMBL6018347 0.80 FOLH1 (0.37) CXCR4HDAC1HDAC6
SCHEMBL6018818 0.80 FOLH1 (0.37) CXCR4HDAC1HDAC6
SCHEMBL6653529 0.80 MMP2 (0.43) MMP2MMP9MMP8MEN1KMT2A

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 MMP2 3994/4885MMP9 3272/4885MMP8 1946/4885

“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.