SCHEMBL6019208

SCHEMBL6019208

O=C(N[C@@H](CCCNCc1ccccn1)C(=O)NCCc1c[nH]c2ccccc12)c1ccc(CNCc2ncc[nH]2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NMBR P28336 4/20 0.40
TACR3 P29371 1/20 0.39
PTGS2 P35354 2/20 0.39
MC4R P32245 1/20 0.39
MC1R Q01726 1/20 0.39
BRS3 P32247 1/20 0.38
TACR1 P25103 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PADI4 Q9UM07 1/20 0.38
PADI2 Q9Y2J8 1/20 0.38
NLN Q9BYT8 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL6018782 0.89 NMBR (0.48) KMT2AMEN1NMBRTACR3MC4R
SCHEMBL6017899 0.88 PRKACB (0.43) KMT2AMEN1NMBRTACR3MC4R
SCHEMBL6653529 0.86 MMP2 (0.43) MMP2MMP9MMP8KMT2AMEN1
SCHEMBL6655004 0.86 MEN1 (0.41) KMT2AMEN1NMBRTACR3PTGS2
SCHEMBL6018188 0.82 SLC40A1 (0.37) KMT2AMEN1NMBRTACR3PTGS2
SCHEMBL6017927 0.82 CXCR4 (0.49) MMP2MMP9MMP8KMT2AMEN1
SCHEMBL6658800 0.82 NAMPT (0.41) MMP2MMP9MMP8KMT2AMEN1
SCHEMBL6019435 0.81 MMP2 (0.38) MMP2MMP9MMP8KMT2AMEN1
SCHEMBL6018027 0.80 FOLH1 (0.44) PADI4PADI2
SCHEMBL6657265 0.75 MEN1 (0.39) KMT2AMEN1NMBRTACR3PTGS2

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.